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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/Secondary_structure_-8cd404f8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Secondary_structure_-8cd404f8/inputs/seq.fa: 1 curr_seq: _UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUCUCGUCCCCUCCCGGCCGGCACGCUUCGUGGCUCCCCUCCCGGCACGUCUCGUGCCUCCGCUUCCGGUCCGCCCAUGGCGGUCCGUUCGCCGCCGGU 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 1 Temperature: 1.150000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -407.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.783627 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -565.135666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.135666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.135666 (E_RNA) where: Base-Base interactions energy: -255.011 where: short stacking energy: -237.640 Base-Backbone interact. energy: -0.166 local terms energy: -309.958414 where: bonds (distance) C4'-P energy: -67.087 bonds (distance) P-C4' energy: -70.881 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -45.731 tors. eta vs tors. theta energy: -58.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -525.814099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.814099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.814099 (E_RNA) where: Base-Base interactions energy: -243.306 where: short stacking energy: -243.706 Base-Backbone interact. energy: -0.220 local terms energy: -282.288496 where: bonds (distance) C4'-P energy: -64.970 bonds (distance) P-C4' energy: -61.672 flat angles C4'-P-C4' energy: -56.373 flat angles P-C4'-P energy: -39.289 tors. eta vs tors. theta energy: -59.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -523.913053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.913053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.913053 (E_RNA) where: Base-Base interactions energy: -227.564 where: short stacking energy: -227.564 Base-Backbone interact. energy: -0.197 local terms energy: -296.152684 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -68.598 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: -57.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -485.084386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.084386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.084386 (E_RNA) where: Base-Base interactions energy: -238.834 where: short stacking energy: -204.612 Base-Backbone interact. energy: -1.642 local terms energy: -244.608378 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -61.277 flat angles C4'-P-C4' energy: -61.847 flat angles P-C4'-P energy: -29.936 tors. eta vs tors. theta energy: -28.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -434.087324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.087324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.087324 (E_RNA) where: Base-Base interactions energy: -176.586 where: short stacking energy: -176.586 Base-Backbone interact. energy: -0.043 local terms energy: -257.458288 where: bonds (distance) C4'-P energy: -64.443 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -51.021 flat angles P-C4'-P energy: -34.930 tors. eta vs tors. theta energy: -38.645 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -413.403411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.403411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.403411 (E_RNA) where: Base-Base interactions energy: -37.301 where: short stacking energy: -37.301 Base-Backbone interact. energy: -0.000 local terms energy: -376.102389 where: bonds (distance) C4'-P energy: -94.041 bonds (distance) P-C4' energy: -81.298 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -45.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -413.247156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.247156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.247156 (E_RNA) where: Base-Base interactions energy: -38.470 where: short stacking energy: -38.470 Base-Backbone interact. energy: -0.000 local terms energy: -374.777418 where: bonds (distance) C4'-P energy: -94.351 bonds (distance) P-C4' energy: -80.671 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -81.286 tors. eta vs tors. theta energy: -45.335 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -407.697398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.697398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.697398 (E_RNA) where: Base-Base interactions energy: -22.780 where: short stacking energy: -22.780 Base-Backbone interact. energy: -0.000 local terms energy: -384.917197 where: bonds (distance) C4'-P energy: -96.189 bonds (distance) P-C4' energy: -87.611 flat angles C4'-P-C4' energy: -72.701 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -44.778 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -411.408823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.408823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.408823 (E_RNA) where: Base-Base interactions energy: -37.020 where: short stacking energy: -37.020 Base-Backbone interact. energy: -0.000 local terms energy: -374.388742 where: bonds (distance) C4'-P energy: -93.162 bonds (distance) P-C4' energy: -80.127 flat angles C4'-P-C4' energy: -73.471 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: -45.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -407.562104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.562104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.562104 (E_RNA) where: Base-Base interactions energy: -24.155 where: short stacking energy: -24.155 Base-Backbone interact. energy: -0.000 local terms energy: -383.407375 where: bonds (distance) C4'-P energy: -95.663 bonds (distance) P-C4' energy: -87.607 flat angles C4'-P-C4' energy: -72.059 flat angles P-C4'-P energy: -83.262 tors. eta vs tors. theta energy: -44.816 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -614.454039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.454039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.454039 (E_RNA) where: Base-Base interactions energy: -306.367 where: short stacking energy: -268.173 Base-Backbone interact. energy: 1.674 local terms energy: -309.760624 where: bonds (distance) C4'-P energy: -65.989 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -63.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -631.266118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.266118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.266118 (E_RNA) where: Base-Base interactions energy: -354.907 where: short stacking energy: -230.264 Base-Backbone interact. energy: -0.938 local terms energy: -275.421199 where: bonds (distance) C4'-P energy: -48.965 bonds (distance) P-C4' energy: -62.864 flat angles C4'-P-C4' energy: -66.293 flat angles P-C4'-P energy: -41.147 tors. eta vs tors. theta energy: -56.151 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -515.835880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.835880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.835880 (E_RNA) where: Base-Base interactions energy: -244.238 where: short stacking energy: -184.754 Base-Backbone interact. energy: -0.315 local terms energy: -271.283118 where: bonds (distance) C4'-P energy: -69.198 bonds (distance) P-C4' energy: -66.182 flat angles C4'-P-C4' energy: -59.745 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -36.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -502.342310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.342310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.342310 (E_RNA) where: Base-Base interactions energy: -272.335 where: short stacking energy: -194.830 Base-Backbone interact. energy: -0.113 local terms energy: -229.893340 where: bonds (distance) C4'-P energy: -64.571 bonds (distance) P-C4' energy: -47.793 flat angles C4'-P-C4' energy: -59.902 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: -23.258 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -448.166869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.166869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.166869 (E_RNA) where: Base-Base interactions energy: -227.975 where: short stacking energy: -143.527 Base-Backbone interact. energy: -0.747 local terms energy: -219.444107 where: bonds (distance) C4'-P energy: -53.530 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -55.433 flat angles P-C4'-P energy: -26.505 tors. eta vs tors. theta energy: -24.659 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -480.957936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.957936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.957936 (E_RNA) where: Base-Base interactions energy: -240.102 where: short stacking energy: -143.214 Base-Backbone interact. energy: -1.270 local terms energy: -239.585416 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -50.756 flat angles C4'-P-C4' energy: -59.718 flat angles P-C4'-P energy: -44.056 tors. eta vs tors. theta energy: -23.229 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -466.695275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.695275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.695275 (E_RNA) where: Base-Base interactions energy: -256.829 where: short stacking energy: -143.913 Base-Backbone interact. energy: 1.233 local terms energy: -211.098762 where: bonds (distance) C4'-P energy: -50.430 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -45.084 flat angles P-C4'-P energy: -31.249 tors. eta vs tors. theta energy: -21.676 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -364.401798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.401798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.401798 (E_RNA) where: Base-Base interactions energy: -160.614 where: short stacking energy: -105.798 Base-Backbone interact. energy: -0.677 local terms energy: -203.110393 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -57.984 flat angles C4'-P-C4' energy: -52.428 flat angles P-C4'-P energy: -30.128 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -350.222733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.222733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.222733 (E_RNA) where: Base-Base interactions energy: -151.730 where: short stacking energy: -135.177 Base-Backbone interact. energy: -0.065 local terms energy: -198.427023 where: bonds (distance) C4'-P energy: -51.566 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -42.284 flat angles P-C4'-P energy: -25.568 tors. eta vs tors. theta energy: -17.353 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -337.192305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.192305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.192305 (E_RNA) where: Base-Base interactions energy: -169.813 where: short stacking energy: -79.541 Base-Backbone interact. energy: -0.297 local terms energy: -167.082019 where: bonds (distance) C4'-P energy: -53.783 bonds (distance) P-C4' energy: -52.634 flat angles C4'-P-C4' energy: -43.434 flat angles P-C4'-P energy: -23.695 tors. eta vs tors. theta energy: 6.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -712.555412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.555412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.555412 (E_RNA) where: Base-Base interactions energy: -428.598 where: short stacking energy: -248.143 Base-Backbone interact. energy: -0.830 local terms energy: -283.127816 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -76.583 flat angles C4'-P-C4' energy: -60.846 flat angles P-C4'-P energy: -47.724 tors. eta vs tors. theta energy: -44.810 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: 4 Temperature: 0.950000 Total energy: -639.315436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.315436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.315436 (E_RNA) where: Base-Base interactions energy: -338.206 where: short stacking energy: -234.562 Base-Backbone interact. energy: -0.347 local terms energy: -300.762458 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -64.239 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -60.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -603.658485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.658485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.658485 (E_RNA) where: Base-Base interactions energy: -336.286 where: short stacking energy: -216.975 Base-Backbone interact. energy: 2.884 local terms energy: -270.256406 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -67.200 flat angles C4'-P-C4' energy: -58.037 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -48.273 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: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -586.522503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.522503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.522503 (E_RNA) where: Base-Base interactions energy: -334.257 where: short stacking energy: -216.084 Base-Backbone interact. energy: -0.234 local terms energy: -252.031649 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -60.665 flat angles C4'-P-C4' energy: -50.176 flat angles P-C4'-P energy: -30.017 tors. eta vs tors. theta energy: -47.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -533.865577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.865577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.865577 (E_RNA) where: Base-Base interactions energy: -290.313 where: short stacking energy: -183.227 Base-Backbone interact. energy: 1.269 local terms energy: -244.821677 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -58.518 flat angles C4'-P-C4' energy: -58.002 flat angles P-C4'-P energy: -33.099 tors. eta vs tors. theta energy: -33.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -496.364000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.364000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.364000 (E_RNA) where: Base-Base interactions energy: -273.000 where: short stacking energy: -163.163 Base-Backbone interact. energy: -1.665 local terms energy: -221.699750 where: bonds (distance) C4'-P energy: -44.326 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -54.772 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -21.183 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: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -505.871566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.871566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.871566 (E_RNA) where: Base-Base interactions energy: -272.831 where: short stacking energy: -174.465 Base-Backbone interact. energy: -0.200 local terms energy: -232.840872 where: bonds (distance) C4'-P energy: -53.867 bonds (distance) P-C4' energy: -59.297 flat angles C4'-P-C4' energy: -58.015 flat angles P-C4'-P energy: -23.572 tors. eta vs tors. theta energy: -38.091 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -528.319917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.319917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.319917 (E_RNA) where: Base-Base interactions energy: -317.899 where: short stacking energy: -161.134 Base-Backbone interact. energy: 0.314 local terms energy: -210.735470 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -42.925 flat angles C4'-P-C4' energy: -59.793 flat angles P-C4'-P energy: -30.479 tors. eta vs tors. theta energy: -20.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -323.492820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.492820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.492820 (E_RNA) where: Base-Base interactions energy: -156.224 where: short stacking energy: -101.481 Base-Backbone interact. energy: -0.540 local terms energy: -166.729445 where: bonds (distance) C4'-P energy: -43.932 bonds (distance) P-C4' energy: -50.727 flat angles C4'-P-C4' energy: -45.790 flat angles P-C4'-P energy: -27.152 tors. eta vs tors. theta energy: 0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -313.270996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.270996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.270996 (E_RNA) where: Base-Base interactions energy: -124.213 where: short stacking energy: -94.640 Base-Backbone interact. energy: -0.934 local terms energy: -188.123139 where: bonds (distance) C4'-P energy: -53.121 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -54.197 flat angles P-C4'-P energy: -15.236 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: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -774.572407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.572407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.572407 (E_RNA) where: Base-Base interactions energy: -493.531 where: short stacking energy: -248.877 Base-Backbone interact. energy: 0.897 local terms energy: -281.937530 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -67.367 flat angles C4'-P-C4' energy: -59.286 flat angles P-C4'-P energy: -38.161 tors. eta vs tors. theta energy: -55.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -733.803415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.803415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.803415 (E_RNA) where: Base-Base interactions energy: -452.286 where: short stacking energy: -242.929 Base-Backbone interact. energy: -0.305 local terms energy: -281.212868 where: bonds (distance) C4'-P energy: -57.374 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -45.616 tors. eta vs tors. theta energy: -43.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -670.404561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.404561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.404561 (E_RNA) where: Base-Base interactions energy: -406.688 where: short stacking energy: -253.591 Base-Backbone interact. energy: 0.990 local terms energy: -264.706662 where: bonds (distance) C4'-P energy: -50.236 bonds (distance) P-C4' energy: -58.094 flat angles C4'-P-C4' energy: -57.587 flat angles P-C4'-P energy: -37.207 tors. eta vs tors. theta energy: -61.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -639.379423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.379423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.379423 (E_RNA) where: Base-Base interactions energy: -372.214 where: short stacking energy: -208.372 Base-Backbone interact. energy: 2.197 local terms energy: -269.362231 where: bonds (distance) C4'-P energy: -59.014 bonds (distance) P-C4' energy: -60.459 flat angles C4'-P-C4' energy: -62.973 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: -49.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -588.966334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.966334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.966334 (E_RNA) where: Base-Base interactions energy: -332.866 where: short stacking energy: -201.590 Base-Backbone interact. energy: -0.500 local terms energy: -255.599913 where: bonds (distance) C4'-P energy: -57.363 bonds (distance) P-C4' energy: -53.249 flat angles C4'-P-C4' energy: -64.738 flat angles P-C4'-P energy: -35.623 tors. eta vs tors. theta energy: -44.627 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: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -578.001816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.001816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.001816 (E_RNA) where: Base-Base interactions energy: -357.031 where: short stacking energy: -164.170 Base-Backbone interact. energy: -0.853 local terms energy: -220.117459 where: bonds (distance) C4'-P energy: -56.285 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -42.805 flat angles P-C4'-P energy: -35.443 tors. eta vs tors. theta energy: -24.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -523.869304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.869304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.869304 (E_RNA) where: Base-Base interactions energy: -273.617 where: short stacking energy: -157.628 Base-Backbone interact. energy: -0.775 local terms energy: -249.477476 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -59.206 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -26.370 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -506.743502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.743502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.743502 (E_RNA) where: Base-Base interactions energy: -303.323 where: short stacking energy: -150.385 Base-Backbone interact. energy: 1.846 local terms energy: -205.266600 where: bonds (distance) C4'-P energy: -47.078 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -49.082 flat angles P-C4'-P energy: -25.373 tors. eta vs tors. theta energy: -20.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -439.390305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.390305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.390305 (E_RNA) where: Base-Base interactions energy: -266.931 where: short stacking energy: -134.233 Base-Backbone interact. energy: 2.732 local terms energy: -175.191429 where: bonds (distance) C4'-P energy: -28.472 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -52.852 flat angles P-C4'-P energy: -20.336 tors. eta vs tors. theta energy: -10.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -275.655163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.655163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.655163 (E_RNA) where: Base-Base interactions energy: -118.679 where: short stacking energy: -114.886 Base-Backbone interact. energy: 2.025 local terms energy: -159.000875 where: bonds (distance) C4'-P energy: -50.096 bonds (distance) P-C4' energy: -52.888 flat angles C4'-P-C4' energy: -38.577 flat angles P-C4'-P energy: -21.364 tors. eta vs tors. theta energy: 3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -870.680595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.680595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.680595 (E_RNA) where: Base-Base interactions energy: -573.180 where: short stacking energy: -281.918 Base-Backbone interact. energy: -1.437 local terms energy: -296.063715 where: bonds (distance) C4'-P energy: -62.394 bonds (distance) P-C4' energy: -58.453 flat angles C4'-P-C4' energy: -70.810 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -61.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -787.929721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.929721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.929721 (E_RNA) where: Base-Base interactions energy: -520.891 where: short stacking energy: -246.975 Base-Backbone interact. energy: -2.577 local terms energy: -264.462220 where: bonds (distance) C4'-P energy: -60.482 bonds (distance) P-C4' energy: -63.024 flat angles C4'-P-C4' energy: -56.300 flat angles P-C4'-P energy: -38.351 tors. eta vs tors. theta energy: -46.306 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: 6 Temperature: 1.000000 Total energy: -766.844380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.844380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.844380 (E_RNA) where: Base-Base interactions energy: -473.638 where: short stacking energy: -268.793 Base-Backbone interact. energy: -1.219 local terms energy: -291.987641 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -62.215 flat angles C4'-P-C4' energy: -65.148 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -59.668 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: 6 Temperature: 1.050000 Total energy: -663.067588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.067588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.067588 (E_RNA) where: Base-Base interactions energy: -411.648 where: short stacking energy: -235.570 Base-Backbone interact. energy: -1.095 local terms energy: -250.325122 where: bonds (distance) C4'-P energy: -45.871 bonds (distance) P-C4' energy: -62.298 flat angles C4'-P-C4' energy: -56.724 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -44.907 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -656.463592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.463592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.463592 (E_RNA) where: Base-Base interactions energy: -390.486 where: short stacking energy: -211.161 Base-Backbone interact. energy: -1.609 local terms energy: -264.369018 where: bonds (distance) C4'-P energy: -56.643 bonds (distance) P-C4' energy: -61.655 flat angles C4'-P-C4' energy: -62.485 flat angles P-C4'-P energy: -39.962 tors. eta vs tors. theta energy: -43.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -559.268360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.268360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.268360 (E_RNA) where: Base-Base interactions energy: -314.288 where: short stacking energy: -194.751 Base-Backbone interact. energy: 1.984 local terms energy: -246.964411 where: bonds (distance) C4'-P energy: -46.217 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -63.763 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: -38.712 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -542.077317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.077317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.077317 (E_RNA) where: Base-Base interactions energy: -322.003 where: short stacking energy: -164.070 Base-Backbone interact. energy: 0.256 local terms energy: -220.330303 where: bonds (distance) C4'-P energy: -50.894 bonds (distance) P-C4' energy: -65.524 flat angles C4'-P-C4' energy: -48.615 flat angles P-C4'-P energy: -29.608 tors. eta vs tors. theta energy: -25.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -472.048159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.048159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.048159 (E_RNA) where: Base-Base interactions energy: -274.485 where: short stacking energy: -144.871 Base-Backbone interact. energy: -1.908 local terms energy: -195.654484 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -67.925 flat angles C4'-P-C4' energy: -39.443 flat angles P-C4'-P energy: -19.668 tors. eta vs tors. theta energy: -14.373 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -435.628744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.628744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.628744 (E_RNA) where: Base-Base interactions energy: -247.913 where: short stacking energy: -136.072 Base-Backbone interact. energy: -0.479 local terms energy: -187.237434 where: bonds (distance) C4'-P energy: -44.189 bonds (distance) P-C4' energy: -54.932 flat angles C4'-P-C4' energy: -45.080 flat angles P-C4'-P energy: -36.777 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -286.635518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.635518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.635518 (E_RNA) where: Base-Base interactions energy: -111.250 where: short stacking energy: -84.024 Base-Backbone interact. energy: -0.854 local terms energy: -174.532152 where: bonds (distance) C4'-P energy: -56.062 bonds (distance) P-C4' energy: -53.797 flat angles C4'-P-C4' energy: -41.364 flat angles P-C4'-P energy: -30.440 tors. eta vs tors. theta energy: 7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -884.137663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.137663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.137663 (E_RNA) where: Base-Base interactions energy: -579.496 where: short stacking energy: -291.351 Base-Backbone interact. energy: -1.318 local terms energy: -303.323450 where: bonds (distance) C4'-P energy: -65.546 bonds (distance) P-C4' energy: -61.115 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -68.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -840.393887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.393887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.393887 (E_RNA) where: Base-Base interactions energy: -546.955 where: short stacking energy: -270.337 Base-Backbone interact. energy: 1.767 local terms energy: -295.205626 where: bonds (distance) C4'-P energy: -55.045 bonds (distance) P-C4' energy: -65.556 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -60.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -758.471921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.471921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.471921 (E_RNA) where: Base-Base interactions energy: -483.720 where: short stacking energy: -250.821 Base-Backbone interact. energy: 0.979 local terms energy: -275.731025 where: bonds (distance) C4'-P energy: -52.390 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -66.662 flat angles P-C4'-P energy: -43.459 tors. eta vs tors. theta energy: -50.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -721.740987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.740987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.740987 (E_RNA) where: Base-Base interactions energy: -441.060 where: short stacking energy: -219.532 Base-Backbone interact. energy: -2.010 local terms energy: -278.670487 where: bonds (distance) C4'-P energy: -59.599 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -65.627 flat angles P-C4'-P energy: -37.495 tors. eta vs tors. theta energy: -51.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -695.185968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.185968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.185968 (E_RNA) where: Base-Base interactions energy: -424.403 where: short stacking energy: -219.013 Base-Backbone interact. energy: -0.851 local terms energy: -269.931223 where: bonds (distance) C4'-P energy: -61.385 bonds (distance) P-C4' energy: -61.343 flat angles C4'-P-C4' energy: -59.740 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -44.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -580.577573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.577573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.577573 (E_RNA) where: Base-Base interactions energy: -349.574 where: short stacking energy: -194.189 Base-Backbone interact. energy: 1.513 local terms energy: -232.516248 where: bonds (distance) C4'-P energy: -56.375 bonds (distance) P-C4' energy: -47.448 flat angles C4'-P-C4' energy: -57.815 flat angles P-C4'-P energy: -35.363 tors. eta vs tors. theta energy: -35.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -544.025073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.025073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.025073 (E_RNA) where: Base-Base interactions energy: -325.799 where: short stacking energy: -186.322 Base-Backbone interact. energy: 0.275 local terms energy: -218.501585 where: bonds (distance) C4'-P energy: -38.281 bonds (distance) P-C4' energy: -64.685 flat angles C4'-P-C4' energy: -55.497 flat angles P-C4'-P energy: -24.014 tors. eta vs tors. theta energy: -36.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -506.023179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.023179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.023179 (E_RNA) where: Base-Base interactions energy: -297.692 where: short stacking energy: -152.154 Base-Backbone interact. energy: 2.176 local terms energy: -210.507034 where: bonds (distance) C4'-P energy: -47.912 bonds (distance) P-C4' energy: -45.440 flat angles C4'-P-C4' energy: -59.776 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -481.703784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.703784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.703784 (E_RNA) where: Base-Base interactions energy: -270.916 where: short stacking energy: -149.435 Base-Backbone interact. energy: 0.614 local terms energy: -211.401746 where: bonds (distance) C4'-P energy: -48.043 bonds (distance) P-C4' energy: -54.644 flat angles C4'-P-C4' energy: -39.492 flat angles P-C4'-P energy: -39.252 tors. eta vs tors. theta energy: -29.971 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: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -330.945312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.945312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.945312 (E_RNA) where: Base-Base interactions energy: -156.051 where: short stacking energy: -112.815 Base-Backbone interact. energy: 1.694 local terms energy: -176.588129 where: bonds (distance) C4'-P energy: -50.184 bonds (distance) P-C4' energy: -56.527 flat angles C4'-P-C4' energy: -40.152 flat angles P-C4'-P energy: -32.345 tors. eta vs tors. theta energy: 2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -896.595353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.595353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.595353 (E_RNA) where: Base-Base interactions energy: -584.218 where: short stacking energy: -318.182 Base-Backbone interact. energy: 0.792 local terms energy: -313.169869 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -58.473 flat angles C4'-P-C4' energy: -74.476 flat angles P-C4'-P energy: -43.223 tors. eta vs tors. theta energy: -77.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -892.171280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.171280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.171280 (E_RNA) where: Base-Base interactions energy: -593.644 where: short stacking energy: -290.570 Base-Backbone interact. energy: -1.931 local terms energy: -296.595907 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -66.768 flat angles C4'-P-C4' energy: -66.685 flat angles P-C4'-P energy: -37.925 tors. eta vs tors. theta energy: -62.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -809.024577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.024577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.024577 (E_RNA) where: Base-Base interactions energy: -528.166 where: short stacking energy: -253.297 Base-Backbone interact. energy: -1.811 local terms energy: -279.048438 where: bonds (distance) C4'-P energy: -47.011 bonds (distance) P-C4' energy: -71.471 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -55.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -719.047487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.047487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.047487 (E_RNA) where: Base-Base interactions energy: -440.840 where: short stacking energy: -227.810 Base-Backbone interact. energy: 1.521 local terms energy: -279.728537 where: bonds (distance) C4'-P energy: -60.999 bonds (distance) P-C4' energy: -71.075 flat angles C4'-P-C4' energy: -56.616 flat angles P-C4'-P energy: -44.716 tors. eta vs tors. theta energy: -46.322 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -699.062692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.062692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.062692 (E_RNA) where: Base-Base interactions energy: -444.315 where: short stacking energy: -221.847 Base-Backbone interact. energy: -1.331 local terms energy: -253.417611 where: bonds (distance) C4'-P energy: -53.496 bonds (distance) P-C4' energy: -52.128 flat angles C4'-P-C4' energy: -66.142 flat angles P-C4'-P energy: -28.102 tors. eta vs tors. theta energy: -53.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -602.855098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.855098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.855098 (E_RNA) where: Base-Base interactions energy: -377.678 where: short stacking energy: -208.952 Base-Backbone interact. energy: -2.290 local terms energy: -222.887698 where: bonds (distance) C4'-P energy: -44.090 bonds (distance) P-C4' energy: -48.699 flat angles C4'-P-C4' energy: -58.613 flat angles P-C4'-P energy: -35.474 tors. eta vs tors. theta energy: -36.012 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: 8 Temperature: 1.200000 Total energy: -570.133705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.133705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.133705 (E_RNA) where: Base-Base interactions energy: -339.352 where: short stacking energy: -185.670 Base-Backbone interact. energy: 0.479 local terms energy: -231.260989 where: bonds (distance) C4'-P energy: -57.962 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -57.402 flat angles P-C4'-P energy: -24.961 tors. eta vs tors. theta energy: -26.273 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: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -506.832619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.832619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.832619 (E_RNA) where: Base-Base interactions energy: -291.584 where: short stacking energy: -146.220 Base-Backbone interact. energy: -2.018 local terms energy: -213.230352 where: bonds (distance) C4'-P energy: -58.875 bonds (distance) P-C4' energy: -52.418 flat angles C4'-P-C4' energy: -54.225 flat angles P-C4'-P energy: -27.097 tors. eta vs tors. theta energy: -20.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -499.889997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.889997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.889997 (E_RNA) where: Base-Base interactions energy: -290.347 where: short stacking energy: -150.568 Base-Backbone interact. energy: 2.074 local terms energy: -211.617837 where: bonds (distance) C4'-P energy: -52.945 bonds (distance) P-C4' energy: -52.058 flat angles C4'-P-C4' energy: -42.627 flat angles P-C4'-P energy: -31.498 tors. eta vs tors. theta energy: -32.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -326.105848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.105848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.105848 (E_RNA) where: Base-Base interactions energy: -153.425 where: short stacking energy: -69.456 Base-Backbone interact. energy: 0.436 local terms energy: -173.116716 where: bonds (distance) C4'-P energy: -55.346 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -36.477 flat angles P-C4'-P energy: -13.459 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -919.215472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.215472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.215472 (E_RNA) where: Base-Base interactions energy: -618.459 where: short stacking energy: -315.172 Base-Backbone interact. energy: -0.820 local terms energy: -299.936564 where: bonds (distance) C4'-P energy: -61.275 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -68.099 flat angles P-C4'-P energy: -39.141 tors. eta vs tors. theta energy: -72.253 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: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -888.788291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.788291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.788291 (E_RNA) where: Base-Base interactions energy: -588.668 where: short stacking energy: -293.023 Base-Backbone interact. energy: -0.236 local terms energy: -299.884772 where: bonds (distance) C4'-P energy: -63.947 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -61.550 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -60.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -829.990947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.990947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.990947 (E_RNA) where: Base-Base interactions energy: -539.994 where: short stacking energy: -270.698 Base-Backbone interact. energy: -1.137 local terms energy: -288.859105 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -61.368 flat angles P-C4'-P energy: -38.370 tors. eta vs tors. theta energy: -65.655 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: 9 Temperature: 1.050000 Total energy: -707.134156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.134156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.134156 (E_RNA) where: Base-Base interactions energy: -430.872 where: short stacking energy: -214.390 Base-Backbone interact. energy: -0.896 local terms energy: -275.365582 where: bonds (distance) C4'-P energy: -60.470 bonds (distance) P-C4' energy: -60.484 flat angles C4'-P-C4' energy: -61.764 flat angles P-C4'-P energy: -42.463 tors. eta vs tors. theta energy: -50.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -687.371167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.371167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.371167 (E_RNA) where: Base-Base interactions energy: -437.251 where: short stacking energy: -217.000 Base-Backbone interact. energy: 0.330 local terms energy: -250.450388 where: bonds (distance) C4'-P energy: -57.071 bonds (distance) P-C4' energy: -55.553 flat angles C4'-P-C4' energy: -57.404 flat angles P-C4'-P energy: -37.572 tors. eta vs tors. theta energy: -42.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -642.201694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.201694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.201694 (E_RNA) where: Base-Base interactions energy: -399.840 where: short stacking energy: -195.008 Base-Backbone interact. energy: -0.639 local terms energy: -241.722276 where: bonds (distance) C4'-P energy: -39.803 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -31.463 tors. eta vs tors. theta energy: -46.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -551.760553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.760553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.760553 (E_RNA) where: Base-Base interactions energy: -310.335 where: short stacking energy: -161.438 Base-Backbone interact. energy: 1.365 local terms energy: -242.791234 where: bonds (distance) C4'-P energy: -67.052 bonds (distance) P-C4' energy: -68.978 flat angles C4'-P-C4' energy: -44.023 flat angles P-C4'-P energy: -35.368 tors. eta vs tors. theta energy: -27.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -512.837088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.837088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.837088 (E_RNA) where: Base-Base interactions energy: -283.272 where: short stacking energy: -147.098 Base-Backbone interact. energy: -2.830 local terms energy: -226.734518 where: bonds (distance) C4'-P energy: -47.940 bonds (distance) P-C4' energy: -62.132 flat angles C4'-P-C4' energy: -59.288 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: -22.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -495.137679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.137679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.137679 (E_RNA) where: Base-Base interactions energy: -289.136 where: short stacking energy: -156.174 Base-Backbone interact. energy: 1.482 local terms energy: -207.484435 where: bonds (distance) C4'-P energy: -58.967 bonds (distance) P-C4' energy: -51.831 flat angles C4'-P-C4' energy: -56.352 flat angles P-C4'-P energy: -21.183 tors. eta vs tors. theta energy: -19.152 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -385.244241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.244241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.244241 (E_RNA) where: Base-Base interactions energy: -215.563 where: short stacking energy: -114.958 Base-Backbone interact. energy: 1.083 local terms energy: -170.763683 where: bonds (distance) C4'-P energy: -54.764 bonds (distance) P-C4' energy: -41.183 flat angles C4'-P-C4' energy: -41.565 flat angles P-C4'-P energy: -27.869 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -960.862414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.862414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.862414 (E_RNA) where: Base-Base interactions energy: -647.827 where: short stacking energy: -300.931 Base-Backbone interact. energy: 0.001 local terms energy: -313.035992 where: bonds (distance) C4'-P energy: -55.708 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -70.732 flat angles P-C4'-P energy: -48.838 tors. eta vs tors. theta energy: -75.239 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: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -895.597237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.597237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.597237 (E_RNA) where: Base-Base interactions energy: -604.282 where: short stacking energy: -275.547 Base-Backbone interact. energy: -1.097 local terms energy: -290.217655 where: bonds (distance) C4'-P energy: -63.612 bonds (distance) P-C4' energy: -58.254 flat angles C4'-P-C4' energy: -70.794 flat angles P-C4'-P energy: -32.267 tors. eta vs tors. theta energy: -65.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -784.590433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.590433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.590433 (E_RNA) where: Base-Base interactions energy: -503.489 where: short stacking energy: -257.147 Base-Backbone interact. energy: 3.124 local terms energy: -284.224947 where: bonds (distance) C4'-P energy: -67.434 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: -53.159 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: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -736.687815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.687815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.687815 (E_RNA) where: Base-Base interactions energy: -461.576 where: short stacking energy: -203.094 Base-Backbone interact. energy: -1.879 local terms energy: -273.232792 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -59.331 flat angles C4'-P-C4' energy: -62.882 flat angles P-C4'-P energy: -37.448 tors. eta vs tors. theta energy: -54.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -703.218996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.218996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.218996 (E_RNA) where: Base-Base interactions energy: -439.374 where: short stacking energy: -213.312 Base-Backbone interact. energy: -0.169 local terms energy: -263.675862 where: bonds (distance) C4'-P energy: -65.187 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -58.838 flat angles P-C4'-P energy: -19.481 tors. eta vs tors. theta energy: -51.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -713.958472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.958472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.958472 (E_RNA) where: Base-Base interactions energy: -441.041 where: short stacking energy: -235.784 Base-Backbone interact. energy: -0.646 local terms energy: -272.271383 where: bonds (distance) C4'-P energy: -61.622 bonds (distance) P-C4' energy: -66.200 flat angles C4'-P-C4' energy: -58.284 flat angles P-C4'-P energy: -37.229 tors. eta vs tors. theta energy: -48.936 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: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -555.021195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.021195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.021195 (E_RNA) where: Base-Base interactions energy: -316.877 where: short stacking energy: -160.068 Base-Backbone interact. energy: 2.624 local terms energy: -240.768425 where: bonds (distance) C4'-P energy: -59.186 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -53.409 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -24.632 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: 10 Temperature: 1.250000 Total energy: -543.249115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.249115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.249115 (E_RNA) where: Base-Base interactions energy: -328.474 where: short stacking energy: -158.154 Base-Backbone interact. energy: -1.509 local terms energy: -213.266472 where: bonds (distance) C4'-P energy: -52.826 bonds (distance) P-C4' energy: -49.088 flat angles C4'-P-C4' energy: -48.262 flat angles P-C4'-P energy: -35.854 tors. eta vs tors. theta energy: -27.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -478.569549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.569549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.569549 (E_RNA) where: Base-Base interactions energy: -281.499 where: short stacking energy: -132.941 Base-Backbone interact. energy: 3.296 local terms energy: -200.366568 where: bonds (distance) C4'-P energy: -43.933 bonds (distance) P-C4' energy: -52.384 flat angles C4'-P-C4' energy: -51.668 flat angles P-C4'-P energy: -36.798 tors. eta vs tors. theta energy: -15.584 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: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -387.363866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.363866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.363866 (E_RNA) where: Base-Base interactions energy: -225.106 where: short stacking energy: -116.440 Base-Backbone interact. energy: -0.414 local terms energy: -161.844767 where: bonds (distance) C4'-P energy: -40.503 bonds (distance) P-C4' energy: -47.654 flat angles C4'-P-C4' energy: -38.431 flat angles P-C4'-P energy: -28.145 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -975.426273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.426273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.426273 (E_RNA) where: Base-Base interactions energy: -659.195 where: short stacking energy: -293.209 Base-Backbone interact. energy: -2.660 local terms energy: -313.571681 where: bonds (distance) C4'-P energy: -69.480 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -69.162 flat angles P-C4'-P energy: -42.240 tors. eta vs tors. theta energy: -73.333 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: 11 Temperature: 0.950000 Total energy: -909.351828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.351828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.351828 (E_RNA) where: Base-Base interactions energy: -614.230 where: short stacking energy: -280.964 Base-Backbone interact. energy: -1.126 local terms energy: -293.995261 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -69.239 flat angles P-C4'-P energy: -40.960 tors. eta vs tors. theta energy: -54.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -807.137266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.137266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.137266 (E_RNA) where: Base-Base interactions energy: -529.421 where: short stacking energy: -252.765 Base-Backbone interact. energy: 0.137 local terms energy: -277.853268 where: bonds (distance) C4'-P energy: -56.107 bonds (distance) P-C4' energy: -58.590 flat angles C4'-P-C4' energy: -64.946 flat angles P-C4'-P energy: -39.258 tors. eta vs tors. theta energy: -58.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -728.612642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.612642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.612642 (E_RNA) where: Base-Base interactions energy: -462.003 where: short stacking energy: -219.837 Base-Backbone interact. energy: -0.205 local terms energy: -266.404563 where: bonds (distance) C4'-P energy: -57.291 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -62.525 flat angles P-C4'-P energy: -31.757 tors. eta vs tors. theta energy: -53.023 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: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -682.939802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.939802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.939802 (E_RNA) where: Base-Base interactions energy: -420.075 where: short stacking energy: -212.774 Base-Backbone interact. energy: -1.601 local terms energy: -261.263558 where: bonds (distance) C4'-P energy: -54.941 bonds (distance) P-C4' energy: -61.526 flat angles C4'-P-C4' energy: -57.257 flat angles P-C4'-P energy: -35.273 tors. eta vs tors. theta energy: -52.267 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -814.092703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.092703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.092703 (E_RNA) where: Base-Base interactions energy: -525.536 where: short stacking energy: -251.675 Base-Backbone interact. energy: 1.685 local terms energy: -290.242220 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -40.250 tors. eta vs tors. theta energy: -60.631 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: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -623.106458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.106458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.106458 (E_RNA) where: Base-Base interactions energy: -382.532 where: short stacking energy: -191.792 Base-Backbone interact. energy: 1.816 local terms energy: -242.391043 where: bonds (distance) C4'-P energy: -54.881 bonds (distance) P-C4' energy: -51.743 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -40.700 tors. eta vs tors. theta energy: -34.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -574.061546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.061546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.061546 (E_RNA) where: Base-Base interactions energy: -338.766 where: short stacking energy: -180.149 Base-Backbone interact. energy: 0.012 local terms energy: -235.308326 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -52.300 flat angles C4'-P-C4' energy: -53.568 flat angles P-C4'-P energy: -35.417 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: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -505.439870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.439870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.439870 (E_RNA) where: Base-Base interactions energy: -301.731 where: short stacking energy: -155.846 Base-Backbone interact. energy: -0.096 local terms energy: -203.612967 where: bonds (distance) C4'-P energy: -45.146 bonds (distance) P-C4' energy: -49.994 flat angles C4'-P-C4' energy: -51.949 flat angles P-C4'-P energy: -36.952 tors. eta vs tors. theta energy: -19.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -394.103867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.103867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.103867 (E_RNA) where: Base-Base interactions energy: -201.250 where: short stacking energy: -113.808 Base-Backbone interact. energy: -0.573 local terms energy: -192.280384 where: bonds (distance) C4'-P energy: -50.982 bonds (distance) P-C4' energy: -57.434 flat angles C4'-P-C4' energy: -48.388 flat angles P-C4'-P energy: -32.353 tors. eta vs tors. theta energy: -3.123 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: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1008.266325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.266325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.266325 (E_RNA) where: Base-Base interactions energy: -698.426 where: short stacking energy: -294.194 Base-Backbone interact. energy: -0.715 local terms energy: -309.125942 where: bonds (distance) C4'-P energy: -57.985 bonds (distance) P-C4' energy: -69.637 flat angles C4'-P-C4' energy: -71.385 flat angles P-C4'-P energy: -32.439 tors. eta vs tors. theta energy: -77.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -911.102623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.102623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.102623 (E_RNA) where: Base-Base interactions energy: -606.053 where: short stacking energy: -284.933 Base-Backbone interact. energy: 1.451 local terms energy: -306.500836 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -68.069 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -60.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -802.363176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.363176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.363176 (E_RNA) where: Base-Base interactions energy: -512.699 where: short stacking energy: -261.225 Base-Backbone interact. energy: 0.309 local terms energy: -289.972630 where: bonds (distance) C4'-P energy: -59.581 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -64.636 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -58.865 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -732.883485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.883485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.883485 (E_RNA) where: Base-Base interactions energy: -458.767 where: short stacking energy: -220.354 Base-Backbone interact. energy: -1.214 local terms energy: -272.902906 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -55.807 flat angles C4'-P-C4' energy: -68.538 flat angles P-C4'-P energy: -29.733 tors. eta vs tors. theta energy: -58.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -887.810651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.810651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.810651 (E_RNA) where: Base-Base interactions energy: -603.774 where: short stacking energy: -264.864 Base-Backbone interact. energy: -0.556 local terms energy: -283.480122 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -36.531 tors. eta vs tors. theta energy: -60.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -692.523747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.523747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.523747 (E_RNA) where: Base-Base interactions energy: -437.455 where: short stacking energy: -222.279 Base-Backbone interact. energy: -0.063 local terms energy: -255.006159 where: bonds (distance) C4'-P energy: -60.029 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -50.457 flat angles P-C4'-P energy: -29.676 tors. eta vs tors. theta energy: -45.159 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: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -640.759910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.759910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.759910 (E_RNA) where: Base-Base interactions energy: -389.334 where: short stacking energy: -197.435 Base-Backbone interact. energy: 0.404 local terms energy: -251.829546 where: bonds (distance) C4'-P energy: -56.687 bonds (distance) P-C4' energy: -55.315 flat angles C4'-P-C4' energy: -55.189 flat angles P-C4'-P energy: -38.996 tors. eta vs tors. theta energy: -45.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -566.302936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.302936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.302936 (E_RNA) where: Base-Base interactions energy: -339.314 where: short stacking energy: -180.952 Base-Backbone interact. energy: -0.754 local terms energy: -226.234536 where: bonds (distance) C4'-P energy: -48.469 bonds (distance) P-C4' energy: -61.820 flat angles C4'-P-C4' energy: -53.458 flat angles P-C4'-P energy: -32.821 tors. eta vs tors. theta energy: -29.667 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -496.798108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.798108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.798108 (E_RNA) where: Base-Base interactions energy: -277.610 where: short stacking energy: -151.824 Base-Backbone interact. energy: -1.152 local terms energy: -218.035991 where: bonds (distance) C4'-P energy: -45.865 bonds (distance) P-C4' energy: -61.529 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -24.109 tors. eta vs tors. theta energy: -24.279 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: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -433.834037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.834037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.834037 (E_RNA) where: Base-Base interactions energy: -250.914 where: short stacking energy: -127.026 Base-Backbone interact. energy: -0.506 local terms energy: -182.413959 where: bonds (distance) C4'-P energy: -53.342 bonds (distance) P-C4' energy: -51.967 flat angles C4'-P-C4' energy: -42.987 flat angles P-C4'-P energy: -18.709 tors. eta vs tors. theta energy: -15.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1031.724175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.724175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.724175 (E_RNA) where: Base-Base interactions energy: -704.469 where: short stacking energy: -311.041 Base-Backbone interact. energy: -0.867 local terms energy: -326.388393 where: bonds (distance) C4'-P energy: -58.704 bonds (distance) P-C4' energy: -67.886 flat angles C4'-P-C4' energy: -69.662 flat angles P-C4'-P energy: -44.293 tors. eta vs tors. theta energy: -85.843 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: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -908.933185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.933185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.933185 (E_RNA) where: Base-Base interactions energy: -598.500 where: short stacking energy: -261.174 Base-Backbone interact. energy: -1.666 local terms energy: -308.767551 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -64.350 flat angles C4'-P-C4' energy: -70.613 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -65.639 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: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -829.315605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.315605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.315605 (E_RNA) where: Base-Base interactions energy: -531.253 where: short stacking energy: -242.906 Base-Backbone interact. energy: 0.557 local terms energy: -298.619430 where: bonds (distance) C4'-P energy: -61.032 bonds (distance) P-C4' energy: -67.323 flat angles C4'-P-C4' energy: -61.269 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -72.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -918.665434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.665434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.665434 (E_RNA) where: Base-Base interactions energy: -620.632 where: short stacking energy: -267.779 Base-Backbone interact. energy: -1.806 local terms energy: -296.227953 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -58.685 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: -75.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -769.303872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.303872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.303872 (E_RNA) where: Base-Base interactions energy: -495.842 where: short stacking energy: -227.686 Base-Backbone interact. energy: -1.904 local terms energy: -271.557810 where: bonds (distance) C4'-P energy: -62.287 bonds (distance) P-C4' energy: -59.883 flat angles C4'-P-C4' energy: -54.348 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -48.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -704.793128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.793128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.793128 (E_RNA) where: Base-Base interactions energy: -447.408 where: short stacking energy: -220.071 Base-Backbone interact. energy: 1.909 local terms energy: -259.294255 where: bonds (distance) C4'-P energy: -67.890 bonds (distance) P-C4' energy: -52.534 flat angles C4'-P-C4' energy: -56.675 flat angles P-C4'-P energy: -36.378 tors. eta vs tors. theta energy: -45.817 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: 13 Temperature: 1.200000 Total energy: -632.019870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.019870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.019870 (E_RNA) where: Base-Base interactions energy: -393.911 where: short stacking energy: -187.737 Base-Backbone interact. energy: -0.522 local terms energy: -237.586464 where: bonds (distance) C4'-P energy: -59.196 bonds (distance) P-C4' energy: -50.726 flat angles C4'-P-C4' energy: -57.133 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: -31.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -519.636238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.636238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.636238 (E_RNA) where: Base-Base interactions energy: -300.941 where: short stacking energy: -175.556 Base-Backbone interact. energy: -1.047 local terms energy: -217.648243 where: bonds (distance) C4'-P energy: -50.434 bonds (distance) P-C4' energy: -56.885 flat angles C4'-P-C4' energy: -47.620 flat angles P-C4'-P energy: -26.726 tors. eta vs tors. theta energy: -35.983 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: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -506.244586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.244586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.244586 (E_RNA) where: Base-Base interactions energy: -273.167 where: short stacking energy: -138.167 Base-Backbone interact. energy: -1.623 local terms energy: -231.454732 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -49.855 flat angles C4'-P-C4' energy: -58.534 flat angles P-C4'-P energy: -40.455 tors. eta vs tors. theta energy: -21.901 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -457.620552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.620552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.620552 (E_RNA) where: Base-Base interactions energy: -243.018 where: short stacking energy: -142.777 Base-Backbone interact. energy: -2.761 local terms energy: -211.841912 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -46.621 flat angles C4'-P-C4' energy: -61.218 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: -13.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1048.180823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.180823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.180823 (E_RNA) where: Base-Base interactions energy: -725.111 where: short stacking energy: -315.770 Base-Backbone interact. energy: -0.495 local terms energy: -322.574284 where: bonds (distance) C4'-P energy: -68.274 bonds (distance) P-C4' energy: -67.238 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: -78.239 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: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -918.290075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.290075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.290075 (E_RNA) where: Base-Base interactions energy: -603.182 where: short stacking energy: -278.700 Base-Backbone interact. energy: -1.340 local terms energy: -313.768061 where: bonds (distance) C4'-P energy: -65.341 bonds (distance) P-C4' energy: -60.454 flat angles C4'-P-C4' energy: -68.858 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -76.321 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: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -980.828605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.828605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.828605 (E_RNA) where: Base-Base interactions energy: -674.027 where: short stacking energy: -296.119 Base-Backbone interact. energy: 0.121 local terms energy: -306.923343 where: bonds (distance) C4'-P energy: -66.380 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -65.331 flat angles P-C4'-P energy: -35.836 tors. eta vs tors. theta energy: -80.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -802.309354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.309354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.309354 (E_RNA) where: Base-Base interactions energy: -524.238 where: short stacking energy: -263.593 Base-Backbone interact. energy: -0.098 local terms energy: -277.973175 where: bonds (distance) C4'-P energy: -46.889 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -64.808 flat angles P-C4'-P energy: -34.573 tors. eta vs tors. theta energy: -68.586 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: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -837.043659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.043659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.043659 (E_RNA) where: Base-Base interactions energy: -562.140 where: short stacking energy: -249.626 Base-Backbone interact. energy: -1.447 local terms energy: -273.456533 where: bonds (distance) C4'-P energy: -60.435 bonds (distance) P-C4' energy: -46.965 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -41.949 tors. eta vs tors. theta energy: -57.892 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: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -797.445829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.445829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.445829 (E_RNA) where: Base-Base interactions energy: -522.074 where: short stacking energy: -249.950 Base-Backbone interact. energy: 1.561 local terms energy: -276.933295 where: bonds (distance) C4'-P energy: -54.372 bonds (distance) P-C4' energy: -55.025 flat angles C4'-P-C4' energy: -56.825 flat angles P-C4'-P energy: -44.609 tors. eta vs tors. theta energy: -66.102 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: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -592.860083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.860083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.860083 (E_RNA) where: Base-Base interactions energy: -364.766 where: short stacking energy: -184.332 Base-Backbone interact. energy: -0.340 local terms energy: -227.754360 where: bonds (distance) C4'-P energy: -41.142 bonds (distance) P-C4' energy: -56.594 flat angles C4'-P-C4' energy: -48.429 flat angles P-C4'-P energy: -36.609 tors. eta vs tors. theta energy: -44.981 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: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -567.335249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.335249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.335249 (E_RNA) where: Base-Base interactions energy: -341.895 where: short stacking energy: -159.662 Base-Backbone interact. energy: 0.360 local terms energy: -225.800325 where: bonds (distance) C4'-P energy: -45.969 bonds (distance) P-C4' energy: -59.088 flat angles C4'-P-C4' energy: -58.589 flat angles P-C4'-P energy: -35.900 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: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -552.172021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.172021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.172021 (E_RNA) where: Base-Base interactions energy: -327.465 where: short stacking energy: -159.716 Base-Backbone interact. energy: -1.796 local terms energy: -222.911267 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -54.012 flat angles C4'-P-C4' energy: -56.228 flat angles P-C4'-P energy: -35.507 tors. eta vs tors. theta energy: -21.029 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: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -437.204664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.204664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.204664 (E_RNA) where: Base-Base interactions energy: -252.422 where: short stacking energy: -121.020 Base-Backbone interact. energy: 3.654 local terms energy: -188.436515 where: bonds (distance) C4'-P energy: -52.394 bonds (distance) P-C4' energy: -58.648 flat angles C4'-P-C4' energy: -53.992 flat angles P-C4'-P energy: -21.011 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1037.395916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.395916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.395916 (E_RNA) where: Base-Base interactions energy: -708.854 where: short stacking energy: -315.714 Base-Backbone interact. energy: -0.863 local terms energy: -327.678933 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -67.048 flat angles C4'-P-C4' energy: -70.788 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -82.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -989.625611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.625611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.625611 (E_RNA) where: Base-Base interactions energy: -671.351 where: short stacking energy: -302.267 Base-Backbone interact. energy: -1.391 local terms energy: -316.882972 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -63.632 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -76.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -921.809489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.809489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.809489 (E_RNA) where: Base-Base interactions energy: -631.407 where: short stacking energy: -294.789 Base-Backbone interact. energy: -2.054 local terms energy: -288.348575 where: bonds (distance) C4'-P energy: -55.559 bonds (distance) P-C4' energy: -62.697 flat angles C4'-P-C4' energy: -62.056 flat angles P-C4'-P energy: -38.600 tors. eta vs tors. theta energy: -69.437 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: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -800.613768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.613768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.613768 (E_RNA) where: Base-Base interactions energy: -517.887 where: short stacking energy: -267.578 Base-Backbone interact. energy: -1.089 local terms energy: -281.637925 where: bonds (distance) C4'-P energy: -60.456 bonds (distance) P-C4' energy: -57.934 flat angles C4'-P-C4' energy: -63.450 flat angles P-C4'-P energy: -35.585 tors. eta vs tors. theta energy: -64.213 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: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -847.383079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.383079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.383079 (E_RNA) where: Base-Base interactions energy: -571.091 where: short stacking energy: -266.680 Base-Backbone interact. energy: 0.244 local terms energy: -276.535972 where: bonds (distance) C4'-P energy: -58.999 bonds (distance) P-C4' energy: -58.975 flat angles C4'-P-C4' energy: -61.602 flat angles P-C4'-P energy: -33.366 tors. eta vs tors. theta energy: -63.595 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: 15 Temperature: 1.150000 Total energy: -786.484791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.484791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.484791 (E_RNA) where: Base-Base interactions energy: -548.348 where: short stacking energy: -245.236 Base-Backbone interact. energy: -0.432 local terms energy: -237.704849 where: bonds (distance) C4'-P energy: -53.787 bonds (distance) P-C4' energy: -44.578 flat angles C4'-P-C4' energy: -66.586 flat angles P-C4'-P energy: -22.007 tors. eta vs tors. theta energy: -50.746 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: 15 Temperature: 1.200000 Total energy: -562.648438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.648438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.648438 (E_RNA) where: Base-Base interactions energy: -325.156 where: short stacking energy: -172.554 Base-Backbone interact. energy: -0.371 local terms energy: -237.121731 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -24.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -548.547026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.547026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.547026 (E_RNA) where: Base-Base interactions energy: -335.122 where: short stacking energy: -174.646 Base-Backbone interact. energy: 2.075 local terms energy: -215.499931 where: bonds (distance) C4'-P energy: -50.463 bonds (distance) P-C4' energy: -50.582 flat angles C4'-P-C4' energy: -58.869 flat angles P-C4'-P energy: -33.548 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: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -518.300996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.300996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.300996 (E_RNA) where: Base-Base interactions energy: -289.417 where: short stacking energy: -152.184 Base-Backbone interact. energy: -1.054 local terms energy: -227.830358 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -57.020 flat angles C4'-P-C4' energy: -51.795 flat angles P-C4'-P energy: -29.825 tors. eta vs tors. theta energy: -26.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -409.403242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.403242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.403242 (E_RNA) where: Base-Base interactions energy: -214.648 where: short stacking energy: -117.401 Base-Backbone interact. energy: -1.157 local terms energy: -193.597498 where: bonds (distance) C4'-P energy: -53.612 bonds (distance) P-C4' energy: -51.443 flat angles C4'-P-C4' energy: -46.825 flat angles P-C4'-P energy: -34.677 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1074.083323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.083323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.083323 (E_RNA) where: Base-Base interactions energy: -736.200 where: short stacking energy: -320.385 Base-Backbone interact. energy: -1.784 local terms energy: -336.099258 where: bonds (distance) C4'-P energy: -67.623 bonds (distance) P-C4' energy: -67.419 flat angles C4'-P-C4' energy: -73.434 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: -85.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1001.258530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.258530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.258530 (E_RNA) where: Base-Base interactions energy: -681.993 where: short stacking energy: -309.835 Base-Backbone interact. energy: -1.726 local terms energy: -317.540040 where: bonds (distance) C4'-P energy: -57.697 bonds (distance) P-C4' energy: -63.268 flat angles C4'-P-C4' energy: -70.720 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -77.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -943.206963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.206963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.206963 (E_RNA) where: Base-Base interactions energy: -634.144 where: short stacking energy: -292.335 Base-Backbone interact. energy: -2.445 local terms energy: -306.617526 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -68.331 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -33.071 tors. eta vs tors. theta energy: -70.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -791.613260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.613260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.613260 (E_RNA) where: Base-Base interactions energy: -502.169 where: short stacking energy: -239.730 Base-Backbone interact. energy: -1.910 local terms energy: -287.535157 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -61.895 flat angles C4'-P-C4' energy: -58.815 flat angles P-C4'-P energy: -48.266 tors. eta vs tors. theta energy: -64.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -829.694037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.694037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.694037 (E_RNA) where: Base-Base interactions energy: -554.910 where: short stacking energy: -245.574 Base-Backbone interact. energy: 1.872 local terms energy: -276.655483 where: bonds (distance) C4'-P energy: -53.123 bonds (distance) P-C4' energy: -52.747 flat angles C4'-P-C4' energy: -60.286 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -63.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -800.163202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.163202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.163202 (E_RNA) where: Base-Base interactions energy: -528.557 where: short stacking energy: -258.668 Base-Backbone interact. energy: -0.589 local terms energy: -271.017258 where: bonds (distance) C4'-P energy: -44.184 bonds (distance) P-C4' energy: -66.396 flat angles C4'-P-C4' energy: -63.538 flat angles P-C4'-P energy: -31.034 tors. eta vs tors. theta energy: -65.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -612.369384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.369384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.369384 (E_RNA) where: Base-Base interactions energy: -375.421 where: short stacking energy: -211.221 Base-Backbone interact. energy: -1.113 local terms energy: -235.835393 where: bonds (distance) C4'-P energy: -53.378 bonds (distance) P-C4' energy: -50.953 flat angles C4'-P-C4' energy: -66.973 flat angles P-C4'-P energy: -17.965 tors. eta vs tors. theta energy: -46.567 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: 16 Temperature: 1.250000 Total energy: -558.806863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.806863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.806863 (E_RNA) where: Base-Base interactions energy: -340.833 where: short stacking energy: -162.272 Base-Backbone interact. energy: -0.718 local terms energy: -217.255990 where: bonds (distance) C4'-P energy: -52.469 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -52.685 flat angles P-C4'-P energy: -22.561 tors. eta vs tors. theta energy: -30.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -439.454299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.454299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.454299 (E_RNA) where: Base-Base interactions energy: -238.977 where: short stacking energy: -137.356 Base-Backbone interact. energy: -2.275 local terms energy: -198.202130 where: bonds (distance) C4'-P energy: -47.543 bonds (distance) P-C4' energy: -46.396 flat angles C4'-P-C4' energy: -48.587 flat angles P-C4'-P energy: -35.418 tors. eta vs tors. theta energy: -20.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -333.221670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.221670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.221670 (E_RNA) where: Base-Base interactions energy: -139.469 where: short stacking energy: -77.363 Base-Backbone interact. energy: -3.863 local terms energy: -189.888886 where: bonds (distance) C4'-P energy: -58.031 bonds (distance) P-C4' energy: -59.811 flat angles C4'-P-C4' energy: -44.632 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: 3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1050.498122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.498122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.498122 (E_RNA) where: Base-Base interactions energy: -725.693 where: short stacking energy: -300.313 Base-Backbone interact. energy: -1.533 local terms energy: -323.271516 where: bonds (distance) C4'-P energy: -61.815 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -77.187 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -72.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1016.492861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.492861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.492861 (E_RNA) where: Base-Base interactions energy: -674.614 where: short stacking energy: -317.691 Base-Backbone interact. energy: -1.484 local terms energy: -340.394916 where: bonds (distance) C4'-P energy: -61.997 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -64.464 flat angles P-C4'-P energy: -52.851 tors. eta vs tors. theta energy: -92.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -922.704102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.704102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.704102 (E_RNA) where: Base-Base interactions energy: -622.344 where: short stacking energy: -295.978 Base-Backbone interact. energy: -1.799 local terms energy: -298.561050 where: bonds (distance) C4'-P energy: -66.508 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -65.102 flat angles P-C4'-P energy: -31.300 tors. eta vs tors. theta energy: -74.966 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: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -856.559038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.559038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.559038 (E_RNA) where: Base-Base interactions energy: -579.501 where: short stacking energy: -262.737 Base-Backbone interact. energy: -0.670 local terms energy: -276.387295 where: bonds (distance) C4'-P energy: -49.104 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -60.334 flat angles P-C4'-P energy: -41.553 tors. eta vs tors. theta energy: -66.902 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: 17 Temperature: 1.100000 Total energy: -743.870766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.870766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.870766 (E_RNA) where: Base-Base interactions energy: -472.404 where: short stacking energy: -237.538 Base-Backbone interact. energy: -0.968 local terms energy: -270.498342 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -47.519 flat angles C4'-P-C4' energy: -73.327 flat angles P-C4'-P energy: -33.404 tors. eta vs tors. theta energy: -60.311 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: 17 Temperature: 1.150000 Total energy: -803.775526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.775526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.775526 (E_RNA) where: Base-Base interactions energy: -533.149 where: short stacking energy: -257.212 Base-Backbone interact. energy: 0.337 local terms energy: -270.962935 where: bonds (distance) C4'-P energy: -60.594 bonds (distance) P-C4' energy: -55.725 flat angles C4'-P-C4' energy: -54.329 flat angles P-C4'-P energy: -32.630 tors. eta vs tors. theta energy: -67.685 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: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -587.781614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.781614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.781614 (E_RNA) where: Base-Base interactions energy: -362.094 where: short stacking energy: -189.987 Base-Backbone interact. energy: -0.192 local terms energy: -225.495376 where: bonds (distance) C4'-P energy: -45.142 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -60.130 flat angles P-C4'-P energy: -34.270 tors. eta vs tors. theta energy: -31.478 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: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -580.611650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.611650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.611650 (E_RNA) where: Base-Base interactions energy: -353.724 where: short stacking energy: -152.544 Base-Backbone interact. energy: 2.245 local terms energy: -229.132746 where: bonds (distance) C4'-P energy: -57.669 bonds (distance) P-C4' energy: -62.945 flat angles C4'-P-C4' energy: -55.944 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: -18.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -454.747845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.747845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.747845 (E_RNA) where: Base-Base interactions energy: -241.444 where: short stacking energy: -122.639 Base-Backbone interact. energy: -1.291 local terms energy: -212.012049 where: bonds (distance) C4'-P energy: -48.426 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -54.924 flat angles P-C4'-P energy: -31.966 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -289.495027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.495027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.495027 (E_RNA) where: Base-Base interactions energy: -104.211 where: short stacking energy: -90.407 Base-Backbone interact. energy: 0.139 local terms energy: -185.423148 where: bonds (distance) C4'-P energy: -56.089 bonds (distance) P-C4' energy: -53.685 flat angles C4'-P-C4' energy: -38.275 flat angles P-C4'-P energy: -28.041 tors. eta vs tors. theta energy: -9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1049.577342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.577342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.577342 (E_RNA) where: Base-Base interactions energy: -734.829 where: short stacking energy: -313.628 Base-Backbone interact. energy: -1.095 local terms energy: -313.653877 where: bonds (distance) C4'-P energy: -62.211 bonds (distance) P-C4' energy: -62.817 flat angles C4'-P-C4' energy: -70.484 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: -85.848 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: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1038.793178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.793178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.793178 (E_RNA) where: Base-Base interactions energy: -717.848 where: short stacking energy: -333.342 Base-Backbone interact. energy: -0.772 local terms energy: -320.172816 where: bonds (distance) C4'-P energy: -61.577 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -67.762 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -83.867 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: 18 Temperature: 1.000000 Total energy: -920.509086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.509086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.509086 (E_RNA) where: Base-Base interactions energy: -618.977 where: short stacking energy: -264.801 Base-Backbone interact. energy: -0.122 local terms energy: -301.410448 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -58.435 flat angles C4'-P-C4' energy: -62.536 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -73.829 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: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -877.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.518882 (E_RNA) where: Base-Base interactions energy: -584.009 where: short stacking energy: -266.404 Base-Backbone interact. energy: -1.115 local terms energy: -292.395132 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -64.473 flat angles P-C4'-P energy: -38.949 tors. eta vs tors. theta energy: -69.066 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: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -822.970370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.970370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.970370 (E_RNA) where: Base-Base interactions energy: -539.724 where: short stacking energy: -248.326 Base-Backbone interact. energy: 2.029 local terms energy: -285.275348 where: bonds (distance) C4'-P energy: -62.666 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -48.721 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: -64.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -710.083339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.083339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.083339 (E_RNA) where: Base-Base interactions energy: -464.213 where: short stacking energy: -224.102 Base-Backbone interact. energy: -1.613 local terms energy: -244.257603 where: bonds (distance) C4'-P energy: -49.897 bonds (distance) P-C4' energy: -54.492 flat angles C4'-P-C4' energy: -63.227 flat angles P-C4'-P energy: -36.992 tors. eta vs tors. theta energy: -39.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -644.030321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.030321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.030321 (E_RNA) where: Base-Base interactions energy: -413.427 where: short stacking energy: -202.260 Base-Backbone interact. energy: -0.091 local terms energy: -230.512210 where: bonds (distance) C4'-P energy: -44.984 bonds (distance) P-C4' energy: -63.574 flat angles C4'-P-C4' energy: -55.802 flat angles P-C4'-P energy: -26.882 tors. eta vs tors. theta energy: -39.271 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: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -615.587843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.587843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.587843 (E_RNA) where: Base-Base interactions energy: -387.373 where: short stacking energy: -208.244 Base-Backbone interact. energy: -0.735 local terms energy: -227.480300 where: bonds (distance) C4'-P energy: -41.340 bonds (distance) P-C4' energy: -52.810 flat angles C4'-P-C4' energy: -52.288 flat angles P-C4'-P energy: -23.392 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -326.770298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.770298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.770298 (E_RNA) where: Base-Base interactions energy: -143.872 where: short stacking energy: -102.413 Base-Backbone interact. energy: -0.385 local terms energy: -182.513295 where: bonds (distance) C4'-P energy: -57.536 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -40.199 flat angles P-C4'-P energy: -24.782 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -486.216486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.216486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.216486 (E_RNA) where: Base-Base interactions energy: -289.880 where: short stacking energy: -139.307 Base-Backbone interact. energy: -1.087 local terms energy: -195.249231 where: bonds (distance) C4'-P energy: -46.159 bonds (distance) P-C4' energy: -54.706 flat angles C4'-P-C4' energy: -47.639 flat angles P-C4'-P energy: -27.894 tors. eta vs tors. theta energy: -18.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1054.553061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.553061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.553061 (E_RNA) where: Base-Base interactions energy: -714.522 where: short stacking energy: -302.632 Base-Backbone interact. energy: -1.337 local terms energy: -338.693968 where: bonds (distance) C4'-P energy: -65.734 bonds (distance) P-C4' energy: -70.137 flat angles C4'-P-C4' energy: -70.485 flat angles P-C4'-P energy: -47.921 tors. eta vs tors. theta energy: -84.418 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: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1032.808636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.808636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.808636 (E_RNA) where: Base-Base interactions energy: -695.764 where: short stacking energy: -317.038 Base-Backbone interact. energy: -0.254 local terms energy: -336.790129 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -67.942 flat angles C4'-P-C4' energy: -67.501 flat angles P-C4'-P energy: -45.987 tors. eta vs tors. theta energy: -91.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -917.738681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.738681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.738681 (E_RNA) where: Base-Base interactions energy: -635.304 where: short stacking energy: -279.571 Base-Backbone interact. energy: -1.712 local terms energy: -280.722393 where: bonds (distance) C4'-P energy: -57.704 bonds (distance) P-C4' energy: -60.793 flat angles C4'-P-C4' energy: -62.138 flat angles P-C4'-P energy: -30.691 tors. eta vs tors. theta energy: -69.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -860.825678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.825678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.825678 (E_RNA) where: Base-Base interactions energy: -550.481 where: short stacking energy: -267.401 Base-Backbone interact. energy: -0.655 local terms energy: -309.689977 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -58.927 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -74.829 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: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -832.556262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.556262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.556262 (E_RNA) where: Base-Base interactions energy: -538.515 where: short stacking energy: -253.961 Base-Backbone interact. energy: -0.768 local terms energy: -293.273325 where: bonds (distance) C4'-P energy: -57.359 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -63.742 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: -69.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -745.935945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.935945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.935945 (E_RNA) where: Base-Base interactions energy: -493.274 where: short stacking energy: -228.523 Base-Backbone interact. energy: -0.690 local terms energy: -251.972234 where: bonds (distance) C4'-P energy: -52.464 bonds (distance) P-C4' energy: -48.704 flat angles C4'-P-C4' energy: -66.992 flat angles P-C4'-P energy: -34.452 tors. eta vs tors. theta energy: -49.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -636.766203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.766203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.766203 (E_RNA) where: Base-Base interactions energy: -399.641 where: short stacking energy: -176.763 Base-Backbone interact. energy: -1.068 local terms energy: -236.057202 where: bonds (distance) C4'-P energy: -48.224 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -58.627 flat angles P-C4'-P energy: -33.415 tors. eta vs tors. theta energy: -32.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -589.214060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.214060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.214060 (E_RNA) where: Base-Base interactions energy: -376.244 where: short stacking energy: -187.008 Base-Backbone interact. energy: 3.259 local terms energy: -216.229713 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -58.272 flat angles P-C4'-P energy: -31.241 tors. eta vs tors. theta energy: -21.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -341.751419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.751419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.751419 (E_RNA) where: Base-Base interactions energy: -158.400 where: short stacking energy: -107.761 Base-Backbone interact. energy: -1.699 local terms energy: -181.652472 where: bonds (distance) C4'-P energy: -42.818 bonds (distance) P-C4' energy: -56.744 flat angles C4'-P-C4' energy: -51.438 flat angles P-C4'-P energy: -35.725 tors. eta vs tors. theta energy: 5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -476.787649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.787649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.787649 (E_RNA) where: Base-Base interactions energy: -294.955 where: short stacking energy: -139.972 Base-Backbone interact. energy: 1.026 local terms energy: -182.858915 where: bonds (distance) C4'-P energy: -40.270 bonds (distance) P-C4' energy: -53.468 flat angles C4'-P-C4' energy: -49.120 flat angles P-C4'-P energy: -28.056 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1044.223502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.223502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.223502 (E_RNA) where: Base-Base interactions energy: -712.640 where: short stacking energy: -329.289 Base-Backbone interact. energy: 0.435 local terms energy: -332.018375 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -69.604 flat angles C4'-P-C4' energy: -74.761 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: -82.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1018.381122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.381122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.381122 (E_RNA) where: Base-Base interactions energy: -683.175 where: short stacking energy: -305.957 Base-Backbone interact. energy: 0.093 local terms energy: -335.299428 where: bonds (distance) C4'-P energy: -65.669 bonds (distance) P-C4' energy: -70.996 flat angles C4'-P-C4' energy: -65.757 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -88.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -866.873642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.873642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.873642 (E_RNA) where: Base-Base interactions energy: -578.695 where: short stacking energy: -260.739 Base-Backbone interact. energy: -0.672 local terms energy: -287.506388 where: bonds (distance) C4'-P energy: -62.064 bonds (distance) P-C4' energy: -60.385 flat angles C4'-P-C4' energy: -56.318 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -63.270 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: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -920.662347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.662347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.662347 (E_RNA) where: Base-Base interactions energy: -624.204 where: short stacking energy: -298.178 Base-Backbone interact. energy: -1.711 local terms energy: -294.747913 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -55.762 flat angles C4'-P-C4' energy: -64.322 flat angles P-C4'-P energy: -41.450 tors. eta vs tors. theta energy: -71.201 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: 20 Temperature: 1.100000 Total energy: -773.991761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.991761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.991761 (E_RNA) where: Base-Base interactions energy: -508.974 where: short stacking energy: -232.959 Base-Backbone interact. energy: -1.286 local terms energy: -263.732388 where: bonds (distance) C4'-P energy: -64.261 bonds (distance) P-C4' energy: -55.989 flat angles C4'-P-C4' energy: -59.750 flat angles P-C4'-P energy: -33.129 tors. eta vs tors. theta energy: -50.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -782.022154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.022154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.022154 (E_RNA) where: Base-Base interactions energy: -521.505 where: short stacking energy: -237.379 Base-Backbone interact. energy: -0.827 local terms energy: -259.689988 where: bonds (distance) C4'-P energy: -58.803 bonds (distance) P-C4' energy: -56.082 flat angles C4'-P-C4' energy: -58.074 flat angles P-C4'-P energy: -29.386 tors. eta vs tors. theta energy: -57.345 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: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -664.891077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.891077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.891077 (E_RNA) where: Base-Base interactions energy: -429.047 where: short stacking energy: -187.049 Base-Backbone interact. energy: -0.317 local terms energy: -235.526402 where: bonds (distance) C4'-P energy: -50.482 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -58.001 flat angles P-C4'-P energy: -38.234 tors. eta vs tors. theta energy: -28.720 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: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -566.253915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.253915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.253915 (E_RNA) where: Base-Base interactions energy: -362.703 where: short stacking energy: -185.243 Base-Backbone interact. energy: 1.495 local terms energy: -205.045797 where: bonds (distance) C4'-P energy: -37.840 bonds (distance) P-C4' energy: -58.198 flat angles C4'-P-C4' energy: -47.150 flat angles P-C4'-P energy: -29.888 tors. eta vs tors. theta energy: -31.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -510.571755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.571755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.571755 (E_RNA) where: Base-Base interactions energy: -306.035 where: short stacking energy: -158.829 Base-Backbone interact. energy: 2.443 local terms energy: -206.980373 where: bonds (distance) C4'-P energy: -45.365 bonds (distance) P-C4' energy: -52.215 flat angles C4'-P-C4' energy: -49.471 flat angles P-C4'-P energy: -36.231 tors. eta vs tors. theta energy: -23.698 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: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -325.032032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.032032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.032032 (E_RNA) where: Base-Base interactions energy: -147.046 where: short stacking energy: -95.686 Base-Backbone interact. energy: 0.101 local terms energy: -178.087547 where: bonds (distance) C4'-P energy: -41.191 bonds (distance) P-C4' energy: -43.402 flat angles C4'-P-C4' energy: -57.007 flat angles P-C4'-P energy: -29.797 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1065.464914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.464914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.464914 (E_RNA) where: Base-Base interactions energy: -728.780 where: short stacking energy: -321.640 Base-Backbone interact. energy: -1.663 local terms energy: -335.022130 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -64.302 flat angles C4'-P-C4' energy: -68.621 flat angles P-C4'-P energy: -44.874 tors. eta vs tors. theta energy: -86.553 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: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1041.942886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.942886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.942886 (E_RNA) where: Base-Base interactions energy: -710.728 where: short stacking energy: -339.092 Base-Backbone interact. energy: -1.224 local terms energy: -329.991458 where: bonds (distance) C4'-P energy: -46.710 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -45.663 tors. eta vs tors. theta energy: -98.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -879.027489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.027489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.027489 (E_RNA) where: Base-Base interactions energy: -579.541 where: short stacking energy: -259.773 Base-Backbone interact. energy: -1.729 local terms energy: -297.757986 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -62.541 flat angles C4'-P-C4' energy: -63.096 flat angles P-C4'-P energy: -39.620 tors. eta vs tors. theta energy: -68.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -905.930522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.930522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.930522 (E_RNA) where: Base-Base interactions energy: -620.202 where: short stacking energy: -273.814 Base-Backbone interact. energy: -0.179 local terms energy: -285.548645 where: bonds (distance) C4'-P energy: -62.224 bonds (distance) P-C4' energy: -56.523 flat angles C4'-P-C4' energy: -61.605 flat angles P-C4'-P energy: -33.376 tors. eta vs tors. theta energy: -71.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -765.882883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.882883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.882883 (E_RNA) where: Base-Base interactions energy: -503.774 where: short stacking energy: -234.066 Base-Backbone interact. energy: -1.158 local terms energy: -260.950999 where: bonds (distance) C4'-P energy: -49.816 bonds (distance) P-C4' energy: -64.340 flat angles C4'-P-C4' energy: -63.212 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -44.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -738.403576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.403576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.403576 (E_RNA) where: Base-Base interactions energy: -488.328 where: short stacking energy: -238.623 Base-Backbone interact. energy: -1.850 local terms energy: -248.225071 where: bonds (distance) C4'-P energy: -56.635 bonds (distance) P-C4' energy: -54.113 flat angles C4'-P-C4' energy: -48.709 flat angles P-C4'-P energy: -36.048 tors. eta vs tors. theta energy: -52.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -650.685505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.685505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.685505 (E_RNA) where: Base-Base interactions energy: -397.622 where: short stacking energy: -179.235 Base-Backbone interact. energy: 0.069 local terms energy: -253.132142 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -53.912 flat angles C4'-P-C4' energy: -51.275 flat angles P-C4'-P energy: -35.250 tors. eta vs tors. theta energy: -47.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -550.461979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.461979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.461979 (E_RNA) where: Base-Base interactions energy: -346.133 where: short stacking energy: -163.045 Base-Backbone interact. energy: -3.023 local terms energy: -201.306536 where: bonds (distance) C4'-P energy: -53.879 bonds (distance) P-C4' energy: -46.398 flat angles C4'-P-C4' energy: -50.593 flat angles P-C4'-P energy: -25.299 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: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -492.764230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.764230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.764230 (E_RNA) where: Base-Base interactions energy: -280.468 where: short stacking energy: -154.337 Base-Backbone interact. energy: -0.847 local terms energy: -211.448777 where: bonds (distance) C4'-P energy: -48.853 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -48.240 flat angles P-C4'-P energy: -25.365 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: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -291.425395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.425395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.425395 (E_RNA) where: Base-Base interactions energy: -125.176 where: short stacking energy: -105.666 Base-Backbone interact. energy: -0.843 local terms energy: -165.406929 where: bonds (distance) C4'-P energy: -49.294 bonds (distance) P-C4' energy: -43.844 flat angles C4'-P-C4' energy: -43.495 flat angles P-C4'-P energy: -30.225 tors. eta vs tors. theta energy: 1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1058.338726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.338726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.338726 (E_RNA) where: Base-Base interactions energy: -710.451 where: short stacking energy: -341.667 Base-Backbone interact. energy: -1.361 local terms energy: -346.527208 where: bonds (distance) C4'-P energy: -61.125 bonds (distance) P-C4' energy: -66.328 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -96.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1022.336370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.336370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.336370 (E_RNA) where: Base-Base interactions energy: -711.776 where: short stacking energy: -308.347 Base-Backbone interact. energy: -0.465 local terms energy: -310.094951 where: bonds (distance) C4'-P energy: -58.184 bonds (distance) P-C4' energy: -57.183 flat angles C4'-P-C4' energy: -72.718 flat angles P-C4'-P energy: -36.153 tors. eta vs tors. theta energy: -85.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -921.718727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.718727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.718727 (E_RNA) where: Base-Base interactions energy: -601.159 where: short stacking energy: -289.286 Base-Backbone interact. energy: -1.758 local terms energy: -318.801601 where: bonds (distance) C4'-P energy: -59.985 bonds (distance) P-C4' energy: -68.142 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -76.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -866.147107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.147107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.147107 (E_RNA) where: Base-Base interactions energy: -593.213 where: short stacking energy: -275.842 Base-Backbone interact. energy: -0.670 local terms energy: -272.263971 where: bonds (distance) C4'-P energy: -47.267 bonds (distance) P-C4' energy: -54.320 flat angles C4'-P-C4' energy: -60.844 flat angles P-C4'-P energy: -33.415 tors. eta vs tors. theta energy: -76.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -788.380694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.380694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.380694 (E_RNA) where: Base-Base interactions energy: -510.956 where: short stacking energy: -242.415 Base-Backbone interact. energy: -0.727 local terms energy: -276.697528 where: bonds (distance) C4'-P energy: -50.502 bonds (distance) P-C4' energy: -63.666 flat angles C4'-P-C4' energy: -64.391 flat angles P-C4'-P energy: -38.455 tors. eta vs tors. theta energy: -59.683 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: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -772.444359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.444359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.444359 (E_RNA) where: Base-Base interactions energy: -491.908 where: short stacking energy: -223.800 Base-Backbone interact. energy: 1.565 local terms energy: -282.101907 where: bonds (distance) C4'-P energy: -64.359 bonds (distance) P-C4' energy: -47.443 flat angles C4'-P-C4' energy: -65.197 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -53.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -716.044482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.044482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.044482 (E_RNA) where: Base-Base interactions energy: -461.473 where: short stacking energy: -206.347 Base-Backbone interact. energy: -1.120 local terms energy: -253.451348 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -58.124 flat angles P-C4'-P energy: -34.439 tors. eta vs tors. theta energy: -45.963 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: 8, replica: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -575.612971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.612971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.612971 (E_RNA) where: Base-Base interactions energy: -359.209 where: short stacking energy: -168.965 Base-Backbone interact. energy: -1.486 local terms energy: -214.918272 where: bonds (distance) C4'-P energy: -49.610 bonds (distance) P-C4' energy: -44.089 flat angles C4'-P-C4' energy: -53.033 flat angles P-C4'-P energy: -35.938 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: 9, replica: 4 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -488.612103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.612103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.612103 (E_RNA) where: Base-Base interactions energy: -282.087 where: short stacking energy: -150.029 Base-Backbone interact. energy: 4.156 local terms energy: -210.681188 where: bonds (distance) C4'-P energy: -60.687 bonds (distance) P-C4' energy: -51.858 flat angles C4'-P-C4' energy: -46.359 flat angles P-C4'-P energy: -33.987 tors. eta vs tors. theta energy: -17.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -365.846080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.846080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.846080 (E_RNA) where: Base-Base interactions energy: -196.047 where: short stacking energy: -122.397 Base-Backbone interact. energy: -0.580 local terms energy: -169.218638 where: bonds (distance) C4'-P energy: -50.120 bonds (distance) P-C4' energy: -65.983 flat angles C4'-P-C4' energy: -33.038 flat angles P-C4'-P energy: -16.144 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1064.045739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.045739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.045739 (E_RNA) where: Base-Base interactions energy: -740.551 where: short stacking energy: -332.464 Base-Backbone interact. energy: -2.743 local terms energy: -320.750994 where: bonds (distance) C4'-P energy: -54.943 bonds (distance) P-C4' energy: -54.794 flat angles C4'-P-C4' energy: -69.118 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -94.472 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: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1021.359886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.359886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.359886 (E_RNA) where: Base-Base interactions energy: -673.327 where: short stacking energy: -306.896 Base-Backbone interact. energy: -2.125 local terms energy: -345.908038 where: bonds (distance) C4'-P energy: -69.906 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -76.387 flat angles P-C4'-P energy: -45.537 tors. eta vs tors. theta energy: -82.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -914.994082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.994082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.994082 (E_RNA) where: Base-Base interactions energy: -616.745 where: short stacking energy: -293.487 Base-Backbone interact. energy: -1.857 local terms energy: -296.392602 where: bonds (distance) C4'-P energy: -61.955 bonds (distance) P-C4' energy: -57.573 flat angles C4'-P-C4' energy: -72.096 flat angles P-C4'-P energy: -34.227 tors. eta vs tors. theta energy: -70.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -889.889851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.889851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.889851 (E_RNA) where: Base-Base interactions energy: -599.972 where: short stacking energy: -260.670 Base-Backbone interact. energy: -1.069 local terms energy: -288.848930 where: bonds (distance) C4'-P energy: -60.365 bonds (distance) P-C4' energy: -62.552 flat angles C4'-P-C4' energy: -56.782 flat angles P-C4'-P energy: -43.661 tors. eta vs tors. theta energy: -65.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -816.620823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.620823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.620823 (E_RNA) where: Base-Base interactions energy: -529.941 where: short stacking energy: -268.886 Base-Backbone interact. energy: 1.053 local terms energy: -287.732906 where: bonds (distance) C4'-P energy: -52.310 bonds (distance) P-C4' energy: -59.425 flat angles C4'-P-C4' energy: -61.650 flat angles P-C4'-P energy: -37.624 tors. eta vs tors. theta energy: -76.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -717.678744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.678744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.678744 (E_RNA) where: Base-Base interactions energy: -472.139 where: short stacking energy: -218.689 Base-Backbone interact. energy: 1.757 local terms energy: -247.296300 where: bonds (distance) C4'-P energy: -49.100 bonds (distance) P-C4' energy: -62.746 flat angles C4'-P-C4' energy: -57.376 flat angles P-C4'-P energy: -35.551 tors. eta vs tors. theta energy: -42.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -680.268748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.268748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.268748 (E_RNA) where: Base-Base interactions energy: -423.036 where: short stacking energy: -211.091 Base-Backbone interact. energy: 0.004 local terms energy: -257.236540 where: bonds (distance) C4'-P energy: -55.769 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -58.266 flat angles P-C4'-P energy: -37.818 tors. eta vs tors. theta energy: -43.431 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: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -569.411106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.411106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.411106 (E_RNA) where: Base-Base interactions energy: -359.122 where: short stacking energy: -180.742 Base-Backbone interact. energy: 2.016 local terms energy: -212.305479 where: bonds (distance) C4'-P energy: -54.894 bonds (distance) P-C4' energy: -52.204 flat angles C4'-P-C4' energy: -40.603 flat angles P-C4'-P energy: -36.657 tors. eta vs tors. theta energy: -27.948 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: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -492.961402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.961402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.961402 (E_RNA) where: Base-Base interactions energy: -296.262 where: short stacking energy: -160.420 Base-Backbone interact. energy: 2.477 local terms energy: -199.175878 where: bonds (distance) C4'-P energy: -50.806 bonds (distance) P-C4' energy: -49.976 flat angles C4'-P-C4' energy: -52.972 flat angles P-C4'-P energy: -34.062 tors. eta vs tors. theta energy: -11.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -405.609341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.609341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.609341 (E_RNA) where: Base-Base interactions energy: -222.785 where: short stacking energy: -128.341 Base-Backbone interact. energy: -0.395 local terms energy: -182.429913 where: bonds (distance) C4'-P energy: -42.547 bonds (distance) P-C4' energy: -48.289 flat angles C4'-P-C4' energy: -50.898 flat angles P-C4'-P energy: -23.108 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: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1040.652857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.652857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.652857 (E_RNA) where: Base-Base interactions energy: -724.876 where: short stacking energy: -327.253 Base-Backbone interact. energy: -0.920 local terms energy: -314.857377 where: bonds (distance) C4'-P energy: -63.058 bonds (distance) P-C4' energy: -67.237 flat angles C4'-P-C4' energy: -67.451 flat angles P-C4'-P energy: -34.347 tors. eta vs tors. theta energy: -82.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1037.704841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.704841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.704841 (E_RNA) where: Base-Base interactions energy: -711.824 where: short stacking energy: -323.109 Base-Backbone interact. energy: 0.769 local terms energy: -326.649455 where: bonds (distance) C4'-P energy: -62.675 bonds (distance) P-C4' energy: -57.781 flat angles C4'-P-C4' energy: -66.874 flat angles P-C4'-P energy: -49.278 tors. eta vs tors. theta energy: -90.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -907.226530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.226530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.226530 (E_RNA) where: Base-Base interactions energy: -607.758 where: short stacking energy: -273.431 Base-Backbone interact. energy: -0.734 local terms energy: -298.734574 where: bonds (distance) C4'-P energy: -62.800 bonds (distance) P-C4' energy: -63.505 flat angles C4'-P-C4' energy: -64.024 flat angles P-C4'-P energy: -36.806 tors. eta vs tors. theta energy: -71.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -856.002132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.002132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.002132 (E_RNA) where: Base-Base interactions energy: -576.426 where: short stacking energy: -248.630 Base-Backbone interact. energy: -1.127 local terms energy: -278.449168 where: bonds (distance) C4'-P energy: -53.006 bonds (distance) P-C4' energy: -54.427 flat angles C4'-P-C4' energy: -70.229 flat angles P-C4'-P energy: -38.016 tors. eta vs tors. theta energy: -62.771 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: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -841.845564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.845564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.845564 (E_RNA) where: Base-Base interactions energy: -546.436 where: short stacking energy: -271.332 Base-Backbone interact. energy: -0.063 local terms energy: -295.347087 where: bonds (distance) C4'-P energy: -58.475 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -65.268 flat angles P-C4'-P energy: -40.322 tors. eta vs tors. theta energy: -72.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -719.918757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.918757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.918757 (E_RNA) where: Base-Base interactions energy: -478.284 where: short stacking energy: -224.708 Base-Backbone interact. energy: 0.370 local terms energy: -242.005616 where: bonds (distance) C4'-P energy: -59.966 bonds (distance) P-C4' energy: -53.444 flat angles C4'-P-C4' energy: -64.212 flat angles P-C4'-P energy: -29.533 tors. eta vs tors. theta energy: -34.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -657.388933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.388933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.388933 (E_RNA) where: Base-Base interactions energy: -406.828 where: short stacking energy: -202.224 Base-Backbone interact. energy: 2.241 local terms energy: -252.801803 where: bonds (distance) C4'-P energy: -55.150 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -56.104 flat angles P-C4'-P energy: -42.881 tors. eta vs tors. theta energy: -37.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -571.534236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.534236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.534236 (E_RNA) where: Base-Base interactions energy: -356.248 where: short stacking energy: -165.632 Base-Backbone interact. energy: -1.260 local terms energy: -214.026796 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -45.135 flat angles C4'-P-C4' energy: -52.544 flat angles P-C4'-P energy: -35.814 tors. eta vs tors. theta energy: -25.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -499.781694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.781694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.781694 (E_RNA) where: Base-Base interactions energy: -286.109 where: short stacking energy: -136.907 Base-Backbone interact. energy: -1.931 local terms energy: -211.741274 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -46.580 flat angles C4'-P-C4' energy: -53.016 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: -13.820 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: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -303.616804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.616804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.616804 (E_RNA) where: Base-Base interactions energy: -112.334 where: short stacking energy: -78.403 Base-Backbone interact. energy: -0.588 local terms energy: -190.694722 where: bonds (distance) C4'-P energy: -52.684 bonds (distance) P-C4' energy: -63.034 flat angles C4'-P-C4' energy: -53.619 flat angles P-C4'-P energy: -40.926 tors. eta vs tors. theta energy: 19.568 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: 25 Temperature: 0.900000 Total energy: -1064.789844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.789844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.789844 (E_RNA) where: Base-Base interactions energy: -742.884 where: short stacking energy: -323.206 Base-Backbone interact. energy: -1.908 local terms energy: -319.997565 where: bonds (distance) C4'-P energy: -63.275 bonds (distance) P-C4' energy: -65.129 flat angles C4'-P-C4' energy: -65.410 flat angles P-C4'-P energy: -41.286 tors. eta vs tors. theta energy: -84.898 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: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1072.242292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.242292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.242292 (E_RNA) where: Base-Base interactions energy: -743.263 where: short stacking energy: -340.774 Base-Backbone interact. energy: -1.717 local terms energy: -327.261775 where: bonds (distance) C4'-P energy: -56.971 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -68.630 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -91.449 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -919.166337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.166337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.166337 (E_RNA) where: Base-Base interactions energy: -621.193 where: short stacking energy: -269.708 Base-Backbone interact. energy: -1.958 local terms energy: -296.015465 where: bonds (distance) C4'-P energy: -55.210 bonds (distance) P-C4' energy: -62.844 flat angles C4'-P-C4' energy: -66.392 flat angles P-C4'-P energy: -32.645 tors. eta vs tors. theta energy: -78.924 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: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -897.343602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.343602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.343602 (E_RNA) where: Base-Base interactions energy: -590.946 where: short stacking energy: -262.594 Base-Backbone interact. energy: -1.559 local terms energy: -304.837929 where: bonds (distance) C4'-P energy: -62.963 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -42.399 tors. eta vs tors. theta energy: -73.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -792.212471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.212471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.212471 (E_RNA) where: Base-Base interactions energy: -505.735 where: short stacking energy: -255.478 Base-Backbone interact. energy: -1.205 local terms energy: -285.272337 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -53.469 flat angles C4'-P-C4' energy: -60.900 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -63.881 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: 1 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -716.450051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.450051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.450051 (E_RNA) where: Base-Base interactions energy: -444.994 where: short stacking energy: -217.451 Base-Backbone interact. energy: -2.215 local terms energy: -269.241521 where: bonds (distance) C4'-P energy: -62.743 bonds (distance) P-C4' energy: -58.489 flat angles C4'-P-C4' energy: -63.797 flat angles P-C4'-P energy: -38.084 tors. eta vs tors. theta energy: -46.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -673.031984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.031984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.031984 (E_RNA) where: Base-Base interactions energy: -423.615 where: short stacking energy: -210.739 Base-Backbone interact. energy: -0.287 local terms energy: -249.129636 where: bonds (distance) C4'-P energy: -51.395 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -47.959 flat angles P-C4'-P energy: -32.135 tors. eta vs tors. theta energy: -50.078 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: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -580.467245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.467245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.467245 (E_RNA) where: Base-Base interactions energy: -354.228 where: short stacking energy: -192.391 Base-Backbone interact. energy: 2.706 local terms energy: -228.945456 where: bonds (distance) C4'-P energy: -55.952 bonds (distance) P-C4' energy: -53.738 flat angles C4'-P-C4' energy: -54.612 flat angles P-C4'-P energy: -32.244 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: 9, replica: 4 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -447.151087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.151087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.151087 (E_RNA) where: Base-Base interactions energy: -253.412 where: short stacking energy: -127.830 Base-Backbone interact. energy: 1.297 local terms energy: -195.036664 where: bonds (distance) C4'-P energy: -47.885 bonds (distance) P-C4' energy: -59.972 flat angles C4'-P-C4' energy: -55.017 flat angles P-C4'-P energy: -21.409 tors. eta vs tors. theta energy: -10.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -324.340733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.340733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.340733 (E_RNA) where: Base-Base interactions energy: -144.364 where: short stacking energy: -69.903 Base-Backbone interact. energy: -1.508 local terms energy: -178.468574 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -36.185 flat angles C4'-P-C4' energy: -52.217 flat angles P-C4'-P energy: -43.377 tors. eta vs tors. theta energy: 12.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1067.188877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.188877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.188877 (E_RNA) where: Base-Base interactions energy: -736.256 where: short stacking energy: -328.219 Base-Backbone interact. energy: -1.877 local terms energy: -329.055289 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -63.937 flat angles C4'-P-C4' energy: -75.842 flat angles P-C4'-P energy: -41.718 tors. eta vs tors. theta energy: -85.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1057.681612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.681612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.681612 (E_RNA) where: Base-Base interactions energy: -732.794 where: short stacking energy: -327.216 Base-Backbone interact. energy: -0.773 local terms energy: -324.114577 where: bonds (distance) C4'-P energy: -57.412 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -78.346 flat angles P-C4'-P energy: -38.523 tors. eta vs tors. theta energy: -87.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -917.576542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.576542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.576542 (E_RNA) where: Base-Base interactions energy: -613.936 where: short stacking energy: -262.898 Base-Backbone interact. energy: -0.167 local terms energy: -303.473864 where: bonds (distance) C4'-P energy: -58.890 bonds (distance) P-C4' energy: -63.643 flat angles C4'-P-C4' energy: -64.886 flat angles P-C4'-P energy: -41.274 tors. eta vs tors. theta energy: -74.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -889.504244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.504244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.504244 (E_RNA) where: Base-Base interactions energy: -584.973 where: short stacking energy: -266.412 Base-Backbone interact. energy: -0.375 local terms energy: -304.156481 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -67.387 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -33.942 tors. eta vs tors. theta energy: -76.839 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: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -797.565788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.565788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.565788 (E_RNA) where: Base-Base interactions energy: -511.467 where: short stacking energy: -252.545 Base-Backbone interact. energy: 0.969 local terms energy: -287.067593 where: bonds (distance) C4'-P energy: -59.741 bonds (distance) P-C4' energy: -59.294 flat angles C4'-P-C4' energy: -55.683 flat angles P-C4'-P energy: -46.484 tors. eta vs tors. theta energy: -65.866 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: 1 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -713.295540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.295540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.295540 (E_RNA) where: Base-Base interactions energy: -457.891 where: short stacking energy: -213.604 Base-Backbone interact. energy: -1.237 local terms energy: -254.167542 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -58.433 flat angles C4'-P-C4' energy: -62.542 flat angles P-C4'-P energy: -33.984 tors. eta vs tors. theta energy: -43.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -717.583461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.583461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.583461 (E_RNA) where: Base-Base interactions energy: -460.722 where: short stacking energy: -213.002 Base-Backbone interact. energy: 0.977 local terms energy: -257.839007 where: bonds (distance) C4'-P energy: -62.841 bonds (distance) P-C4' energy: -52.133 flat angles C4'-P-C4' energy: -64.449 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: -38.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -559.459093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.459093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.459093 (E_RNA) where: Base-Base interactions energy: -326.558 where: short stacking energy: -171.240 Base-Backbone interact. energy: -1.208 local terms energy: -231.693020 where: bonds (distance) C4'-P energy: -50.189 bonds (distance) P-C4' energy: -56.754 flat angles C4'-P-C4' energy: -61.643 flat angles P-C4'-P energy: -40.865 tors. eta vs tors. theta energy: -22.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -453.138184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.138184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.138184 (E_RNA) where: Base-Base interactions energy: -234.853 where: short stacking energy: -130.915 Base-Backbone interact. energy: -2.502 local terms energy: -215.782547 where: bonds (distance) C4'-P energy: -47.954 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -48.599 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -295.626895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.626895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.626895 (E_RNA) where: Base-Base interactions energy: -99.371 where: short stacking energy: -78.755 Base-Backbone interact. energy: -1.114 local terms energy: -195.142507 where: bonds (distance) C4'-P energy: -47.996 bonds (distance) P-C4' energy: -57.581 flat angles C4'-P-C4' energy: -63.835 flat angles P-C4'-P energy: -22.546 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1059.726842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.726842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.726842 (E_RNA) where: Base-Base interactions energy: -727.585 where: short stacking energy: -339.246 Base-Backbone interact. energy: 0.540 local terms energy: -332.681214 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -75.866 flat angles P-C4'-P energy: -44.143 tors. eta vs tors. theta energy: -85.109 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: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1062.524918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.524918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.524918 (E_RNA) where: Base-Base interactions energy: -740.514 where: short stacking energy: -345.343 Base-Backbone interact. energy: -1.623 local terms energy: -320.387868 where: bonds (distance) C4'-P energy: -54.145 bonds (distance) P-C4' energy: -60.779 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -45.994 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -943.664634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.664634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.664634 (E_RNA) where: Base-Base interactions energy: -655.208 where: short stacking energy: -292.016 Base-Backbone interact. energy: -1.832 local terms energy: -286.624792 where: bonds (distance) C4'-P energy: -59.846 bonds (distance) P-C4' energy: -52.498 flat angles C4'-P-C4' energy: -63.904 flat angles P-C4'-P energy: -39.553 tors. eta vs tors. theta energy: -70.824 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: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -895.789860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.789860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.789860 (E_RNA) where: Base-Base interactions energy: -611.092 where: short stacking energy: -279.107 Base-Backbone interact. energy: 5.419 local terms energy: -290.116459 where: bonds (distance) C4'-P energy: -50.720 bonds (distance) P-C4' energy: -65.616 flat angles C4'-P-C4' energy: -55.673 flat angles P-C4'-P energy: -43.913 tors. eta vs tors. theta energy: -74.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -799.785888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.785888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.785888 (E_RNA) where: Base-Base interactions energy: -501.370 where: short stacking energy: -240.852 Base-Backbone interact. energy: -1.365 local terms energy: -297.050596 where: bonds (distance) C4'-P energy: -62.106 bonds (distance) P-C4' energy: -63.607 flat angles C4'-P-C4' energy: -64.320 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -67.960 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: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -717.257836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.257836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.257836 (E_RNA) where: Base-Base interactions energy: -465.133 where: short stacking energy: -217.756 Base-Backbone interact. energy: 0.975 local terms energy: -253.099997 where: bonds (distance) C4'-P energy: -43.964 bonds (distance) P-C4' energy: -57.772 flat angles C4'-P-C4' energy: -58.097 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: -53.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -656.623908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.623908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.623908 (E_RNA) where: Base-Base interactions energy: -425.092 where: short stacking energy: -170.902 Base-Backbone interact. energy: -0.856 local terms energy: -230.676020 where: bonds (distance) C4'-P energy: -60.779 bonds (distance) P-C4' energy: -49.849 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -38.070 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: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -555.268649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.268649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.268649 (E_RNA) where: Base-Base interactions energy: -362.919 where: short stacking energy: -166.502 Base-Backbone interact. energy: 0.940 local terms energy: -193.290461 where: bonds (distance) C4'-P energy: -46.635 bonds (distance) P-C4' energy: -57.224 flat angles C4'-P-C4' energy: -47.104 flat angles P-C4'-P energy: -30.255 tors. eta vs tors. theta energy: -12.073 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: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -480.781149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.781149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.781149 (E_RNA) where: Base-Base interactions energy: -259.286 where: short stacking energy: -120.072 Base-Backbone interact. energy: -0.092 local terms energy: -221.403673 where: bonds (distance) C4'-P energy: -62.665 bonds (distance) P-C4' energy: -62.106 flat angles C4'-P-C4' energy: -48.427 flat angles P-C4'-P energy: -42.090 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -322.202085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.202085 (E_RNA) where: Base-Base interactions energy: -128.793 where: short stacking energy: -86.634 Base-Backbone interact. energy: -0.731 local terms energy: -192.678190 where: bonds (distance) C4'-P energy: -51.996 bonds (distance) P-C4' energy: -63.235 flat angles C4'-P-C4' energy: -54.754 flat angles P-C4'-P energy: -16.161 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1093.046861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.046861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.046861 (E_RNA) where: Base-Base interactions energy: -747.262 where: short stacking energy: -348.026 Base-Backbone interact. energy: -2.805 local terms energy: -342.979284 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -69.892 flat angles C4'-P-C4' energy: -78.446 flat angles P-C4'-P energy: -39.964 tors. eta vs tors. theta energy: -97.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1037.575401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.575401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.575401 (E_RNA) where: Base-Base interactions energy: -728.811 where: short stacking energy: -316.779 Base-Backbone interact. energy: -1.243 local terms energy: -307.521518 where: bonds (distance) C4'-P energy: -62.063 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -64.819 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -76.910 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: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -960.000525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.000525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.000525 (E_RNA) where: Base-Base interactions energy: -664.627 where: short stacking energy: -303.523 Base-Backbone interact. energy: -0.717 local terms energy: -294.656019 where: bonds (distance) C4'-P energy: -57.416 bonds (distance) P-C4' energy: -52.958 flat angles C4'-P-C4' energy: -68.957 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -71.035 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: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -867.824837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.824837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.824837 (E_RNA) where: Base-Base interactions energy: -580.148 where: short stacking energy: -243.026 Base-Backbone interact. energy: -1.070 local terms energy: -286.606954 where: bonds (distance) C4'-P energy: -54.796 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -56.639 flat angles P-C4'-P energy: -38.641 tors. eta vs tors. theta energy: -71.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -793.677400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.677400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.677400 (E_RNA) where: Base-Base interactions energy: -515.817 where: short stacking energy: -251.331 Base-Backbone interact. energy: -1.111 local terms energy: -276.749714 where: bonds (distance) C4'-P energy: -49.295 bonds (distance) P-C4' energy: -60.969 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -39.521 tors. eta vs tors. theta energy: -62.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -705.718767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.718767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.718767 (E_RNA) where: Base-Base interactions energy: -445.720 where: short stacking energy: -222.069 Base-Backbone interact. energy: -0.206 local terms energy: -259.792240 where: bonds (distance) C4'-P energy: -54.028 bonds (distance) P-C4' energy: -62.538 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -46.848 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: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -653.087008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.087008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.087008 (E_RNA) where: Base-Base interactions energy: -426.858 where: short stacking energy: -181.554 Base-Backbone interact. energy: -0.740 local terms energy: -225.488805 where: bonds (distance) C4'-P energy: -59.392 bonds (distance) P-C4' energy: -51.465 flat angles C4'-P-C4' energy: -42.208 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: -39.376 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: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -564.900314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.900314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.900314 (E_RNA) where: Base-Base interactions energy: -357.420 where: short stacking energy: -160.077 Base-Backbone interact. energy: -0.502 local terms energy: -206.978060 where: bonds (distance) C4'-P energy: -54.070 bonds (distance) P-C4' energy: -50.543 flat angles C4'-P-C4' energy: -46.065 flat angles P-C4'-P energy: -39.565 tors. eta vs tors. theta energy: -16.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -471.400360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.400360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.400360 (E_RNA) where: Base-Base interactions energy: -272.251 where: short stacking energy: -144.503 Base-Backbone interact. energy: -1.794 local terms energy: -197.355651 where: bonds (distance) C4'-P energy: -41.246 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -47.558 flat angles P-C4'-P energy: -29.646 tors. eta vs tors. theta energy: -20.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -318.818896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.818896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.818896 (E_RNA) where: Base-Base interactions energy: -168.200 where: short stacking energy: -111.100 Base-Backbone interact. energy: 0.286 local terms energy: -150.905282 where: bonds (distance) C4'-P energy: -46.666 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -38.466 flat angles P-C4'-P energy: -21.738 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: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1089.956911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.956911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.956911 (E_RNA) where: Base-Base interactions energy: -731.229 where: short stacking energy: -348.478 Base-Backbone interact. energy: -1.327 local terms energy: -357.400813 where: bonds (distance) C4'-P energy: -68.797 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -69.601 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -99.689 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: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1032.403975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.403975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.403975 (E_RNA) where: Base-Base interactions energy: -719.211 where: short stacking energy: -308.696 Base-Backbone interact. energy: -1.349 local terms energy: -311.843834 where: bonds (distance) C4'-P energy: -59.762 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -72.274 flat angles P-C4'-P energy: -36.119 tors. eta vs tors. theta energy: -76.545 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: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -981.641710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.641710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.641710 (E_RNA) where: Base-Base interactions energy: -662.646 where: short stacking energy: -317.035 Base-Backbone interact. energy: -0.859 local terms energy: -318.136135 where: bonds (distance) C4'-P energy: -57.767 bonds (distance) P-C4' energy: -66.321 flat angles C4'-P-C4' energy: -66.109 flat angles P-C4'-P energy: -37.276 tors. eta vs tors. theta energy: -90.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -888.503577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.503577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.503577 (E_RNA) where: Base-Base interactions energy: -584.242 where: short stacking energy: -281.035 Base-Backbone interact. energy: -0.642 local terms energy: -303.619451 where: bonds (distance) C4'-P energy: -52.713 bonds (distance) P-C4' energy: -64.142 flat angles C4'-P-C4' energy: -64.779 flat angles P-C4'-P energy: -43.683 tors. eta vs tors. theta energy: -78.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -817.765844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.765844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.765844 (E_RNA) where: Base-Base interactions energy: -547.540 where: short stacking energy: -239.660 Base-Backbone interact. energy: 1.210 local terms energy: -271.435476 where: bonds (distance) C4'-P energy: -60.034 bonds (distance) P-C4' energy: -60.211 flat angles C4'-P-C4' energy: -57.854 flat angles P-C4'-P energy: -35.965 tors. eta vs tors. theta energy: -57.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -733.202608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.202608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.202608 (E_RNA) where: Base-Base interactions energy: -483.363 where: short stacking energy: -239.976 Base-Backbone interact. energy: 0.864 local terms energy: -250.703144 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -52.341 flat angles C4'-P-C4' energy: -44.609 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -54.607 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: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -670.804852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.804852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.804852 (E_RNA) where: Base-Base interactions energy: -437.198 where: short stacking energy: -205.959 Base-Backbone interact. energy: -0.770 local terms energy: -232.837205 where: bonds (distance) C4'-P energy: -45.839 bonds (distance) P-C4' energy: -56.333 flat angles C4'-P-C4' energy: -56.411 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -37.924 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: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -531.021858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.021858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.021858 (E_RNA) where: Base-Base interactions energy: -298.215 where: short stacking energy: -152.493 Base-Backbone interact. energy: 0.419 local terms energy: -233.225697 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -54.256 flat angles C4'-P-C4' energy: -58.904 flat angles P-C4'-P energy: -39.999 tors. eta vs tors. theta energy: -20.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -535.505131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.505131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.505131 (E_RNA) where: Base-Base interactions energy: -328.085 where: short stacking energy: -145.204 Base-Backbone interact. energy: -0.740 local terms energy: -206.679649 where: bonds (distance) C4'-P energy: -47.615 bonds (distance) P-C4' energy: -61.482 flat angles C4'-P-C4' energy: -57.121 flat angles P-C4'-P energy: -22.303 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -290.715081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.715081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.715081 (E_RNA) where: Base-Base interactions energy: -121.464 where: short stacking energy: -85.265 Base-Backbone interact. energy: 0.517 local terms energy: -169.768405 where: bonds (distance) C4'-P energy: -45.027 bonds (distance) P-C4' energy: -62.368 flat angles C4'-P-C4' energy: -55.159 flat angles P-C4'-P energy: -21.162 tors. eta vs tors. theta energy: 13.947 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: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1089.997431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.997431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.997431 (E_RNA) where: Base-Base interactions energy: -739.488 where: short stacking energy: -349.010 Base-Backbone interact. energy: -1.020 local terms energy: -349.489944 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -75.247 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -99.846 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: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1032.619132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.619132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.619132 (E_RNA) where: Base-Base interactions energy: -723.642 where: short stacking energy: -328.835 Base-Backbone interact. energy: 1.865 local terms energy: -310.841901 where: bonds (distance) C4'-P energy: -58.213 bonds (distance) P-C4' energy: -60.864 flat angles C4'-P-C4' energy: -66.205 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: -85.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -962.662057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.662057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.662057 (E_RNA) where: Base-Base interactions energy: -647.119 where: short stacking energy: -302.167 Base-Backbone interact. energy: 0.938 local terms energy: -316.481819 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -62.776 flat angles C4'-P-C4' energy: -67.390 flat angles P-C4'-P energy: -37.813 tors. eta vs tors. theta energy: -81.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -894.380608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.380608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.380608 (E_RNA) where: Base-Base interactions energy: -593.237 where: short stacking energy: -256.831 Base-Backbone interact. energy: -1.113 local terms energy: -300.030142 where: bonds (distance) C4'-P energy: -68.805 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -59.867 flat angles P-C4'-P energy: -43.867 tors. eta vs tors. theta energy: -65.606 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: 30 Temperature: 1.100000 Total energy: -831.995989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.995989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.995989 (E_RNA) where: Base-Base interactions energy: -535.729 where: short stacking energy: -257.020 Base-Backbone interact. energy: -0.955 local terms energy: -295.312024 where: bonds (distance) C4'-P energy: -51.405 bonds (distance) P-C4' energy: -68.741 flat angles C4'-P-C4' energy: -66.391 flat angles P-C4'-P energy: -46.271 tors. eta vs tors. theta energy: -62.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -747.628467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.628467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.628467 (E_RNA) where: Base-Base interactions energy: -488.054 where: short stacking energy: -224.229 Base-Backbone interact. energy: 0.086 local terms energy: -259.659948 where: bonds (distance) C4'-P energy: -53.502 bonds (distance) P-C4' energy: -58.482 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -34.530 tors. eta vs tors. theta energy: -52.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -686.111208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.111208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.111208 (E_RNA) where: Base-Base interactions energy: -457.642 where: short stacking energy: -199.058 Base-Backbone interact. energy: -2.037 local terms energy: -226.431524 where: bonds (distance) C4'-P energy: -41.730 bonds (distance) P-C4' energy: -54.608 flat angles C4'-P-C4' energy: -60.251 flat angles P-C4'-P energy: -26.522 tors. eta vs tors. theta energy: -43.321 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: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -535.260904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.260904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.260904 (E_RNA) where: Base-Base interactions energy: -350.644 where: short stacking energy: -176.781 Base-Backbone interact. energy: 1.701 local terms energy: -186.318623 where: bonds (distance) C4'-P energy: -45.799 bonds (distance) P-C4' energy: -44.872 flat angles C4'-P-C4' energy: -49.812 flat angles P-C4'-P energy: -28.623 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: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -575.317518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.317518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.317518 (E_RNA) where: Base-Base interactions energy: -347.083 where: short stacking energy: -148.222 Base-Backbone interact. energy: -0.971 local terms energy: -227.263899 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -64.791 flat angles C4'-P-C4' energy: -51.570 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -19.170 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: 30 Temperature: 1.350000 Total energy: -289.772433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.772433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.772433 (E_RNA) where: Base-Base interactions energy: -129.009 where: short stacking energy: -94.651 Base-Backbone interact. energy: -0.571 local terms energy: -160.193050 where: bonds (distance) C4'-P energy: -42.179 bonds (distance) P-C4' energy: -52.606 flat angles C4'-P-C4' energy: -50.336 flat angles P-C4'-P energy: -13.407 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1089.331272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.331272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.331272 (E_RNA) where: Base-Base interactions energy: -741.090 where: short stacking energy: -341.991 Base-Backbone interact. energy: -0.764 local terms energy: -347.477004 where: bonds (distance) C4'-P energy: -57.539 bonds (distance) P-C4' energy: -72.352 flat angles C4'-P-C4' energy: -71.542 flat angles P-C4'-P energy: -53.615 tors. eta vs tors. theta energy: -92.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1020.287609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.287609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.287609 (E_RNA) where: Base-Base interactions energy: -694.375 where: short stacking energy: -301.755 Base-Backbone interact. energy: -2.498 local terms energy: -323.415359 where: bonds (distance) C4'-P energy: -67.383 bonds (distance) P-C4' energy: -65.814 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -43.742 tors. eta vs tors. theta energy: -76.167 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: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -945.063299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.063299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.063299 (E_RNA) where: Base-Base interactions energy: -643.055 where: short stacking energy: -310.923 Base-Backbone interact. energy: -0.716 local terms energy: -301.292486 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -37.154 tors. eta vs tors. theta energy: -78.741 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: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -914.038661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.038661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.038661 (E_RNA) where: Base-Base interactions energy: -609.137 where: short stacking energy: -269.926 Base-Backbone interact. energy: 2.413 local terms energy: -307.314636 where: bonds (distance) C4'-P energy: -51.707 bonds (distance) P-C4' energy: -69.901 flat angles C4'-P-C4' energy: -68.426 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -75.578 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: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -870.537513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.537513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.537513 (E_RNA) where: Base-Base interactions energy: -579.122 where: short stacking energy: -256.706 Base-Backbone interact. energy: 0.667 local terms energy: -292.082618 where: bonds (distance) C4'-P energy: -52.802 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -58.070 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -72.544 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: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -725.819510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.819510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.819510 (E_RNA) where: Base-Base interactions energy: -468.517 where: short stacking energy: -213.662 Base-Backbone interact. energy: 0.156 local terms energy: -257.458660 where: bonds (distance) C4'-P energy: -54.627 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -33.045 tors. eta vs tors. theta energy: -44.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -658.046629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.046629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.046629 (E_RNA) where: Base-Base interactions energy: -411.054 where: short stacking energy: -205.673 Base-Backbone interact. energy: 3.565 local terms energy: -250.557565 where: bonds (distance) C4'-P energy: -55.108 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -61.207 flat angles P-C4'-P energy: -34.421 tors. eta vs tors. theta energy: -38.324 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: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -662.982929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.982929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.982929 (E_RNA) where: Base-Base interactions energy: -440.620 where: short stacking energy: -198.018 Base-Backbone interact. energy: 0.928 local terms energy: -223.291200 where: bonds (distance) C4'-P energy: -53.026 bonds (distance) P-C4' energy: -42.639 flat angles C4'-P-C4' energy: -56.124 flat angles P-C4'-P energy: -35.604 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: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -526.902156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.902156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.902156 (E_RNA) where: Base-Base interactions energy: -323.285 where: short stacking energy: -173.949 Base-Backbone interact. energy: 2.873 local terms energy: -206.490461 where: bonds (distance) C4'-P energy: -57.658 bonds (distance) P-C4' energy: -49.974 flat angles C4'-P-C4' energy: -43.440 flat angles P-C4'-P energy: -29.094 tors. eta vs tors. theta energy: -26.323 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: 31 Temperature: 1.350000 Total energy: -298.576120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.576120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.576120 (E_RNA) where: Base-Base interactions energy: -96.255 where: short stacking energy: -82.342 Base-Backbone interact. energy: -0.726 local terms energy: -201.594983 where: bonds (distance) C4'-P energy: -58.059 bonds (distance) P-C4' energy: -60.424 flat angles C4'-P-C4' energy: -44.676 flat angles P-C4'-P energy: -34.936 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1094.803110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.803110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.803110 (E_RNA) where: Base-Base interactions energy: -749.687 where: short stacking energy: -338.738 Base-Backbone interact. energy: -2.018 local terms energy: -343.097834 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -64.577 flat angles C4'-P-C4' energy: -75.013 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -86.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1042.489690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.489690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.489690 (E_RNA) where: Base-Base interactions energy: -722.006 where: short stacking energy: -310.840 Base-Backbone interact. energy: 0.857 local terms energy: -321.340991 where: bonds (distance) C4'-P energy: -61.515 bonds (distance) P-C4' energy: -70.552 flat angles C4'-P-C4' energy: -64.994 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -81.223 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: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -917.695731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.695731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.695731 (E_RNA) where: Base-Base interactions energy: -607.903 where: short stacking energy: -269.543 Base-Backbone interact. energy: 0.713 local terms energy: -310.505502 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -59.494 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -43.187 tors. eta vs tors. theta energy: -79.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -926.565324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.565324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.565324 (E_RNA) where: Base-Base interactions energy: -616.353 where: short stacking energy: -301.466 Base-Backbone interact. energy: -0.682 local terms energy: -309.530316 where: bonds (distance) C4'-P energy: -53.071 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -69.427 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -77.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -840.455625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.455625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.455625 (E_RNA) where: Base-Base interactions energy: -550.161 where: short stacking energy: -245.457 Base-Backbone interact. energy: -0.859 local terms energy: -289.435651 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -56.644 flat angles C4'-P-C4' energy: -57.278 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: -61.763 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -760.006938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.006938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.006938 (E_RNA) where: Base-Base interactions energy: -499.839 where: short stacking energy: -243.640 Base-Backbone interact. energy: -0.644 local terms energy: -259.524252 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -54.246 flat angles C4'-P-C4' energy: -64.511 flat angles P-C4'-P energy: -36.075 tors. eta vs tors. theta energy: -48.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -645.224010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.224010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.224010 (E_RNA) where: Base-Base interactions energy: -387.995 where: short stacking energy: -172.364 Base-Backbone interact. energy: -1.430 local terms energy: -255.798546 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -66.749 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -35.511 tors. eta vs tors. theta energy: -30.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -611.312668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.312668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.312668 (E_RNA) where: Base-Base interactions energy: -417.790 where: short stacking energy: -175.997 Base-Backbone interact. energy: 1.337 local terms energy: -194.859917 where: bonds (distance) C4'-P energy: -49.715 bonds (distance) P-C4' energy: -51.956 flat angles C4'-P-C4' energy: -43.789 flat angles P-C4'-P energy: -24.278 tors. eta vs tors. theta energy: -25.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -507.223076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.223076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.223076 (E_RNA) where: Base-Base interactions energy: -318.240 where: short stacking energy: -150.846 Base-Backbone interact. energy: 2.938 local terms energy: -191.920988 where: bonds (distance) C4'-P energy: -53.263 bonds (distance) P-C4' energy: -61.496 flat angles C4'-P-C4' energy: -45.392 flat angles P-C4'-P energy: -18.069 tors. eta vs tors. theta energy: -13.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -301.509496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.509496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.509496 (E_RNA) where: Base-Base interactions energy: -138.294 where: short stacking energy: -97.697 Base-Backbone interact. energy: 0.632 local terms energy: -163.846973 where: bonds (distance) C4'-P energy: -42.682 bonds (distance) P-C4' energy: -54.210 flat angles C4'-P-C4' energy: -48.504 flat angles P-C4'-P energy: -23.587 tors. eta vs tors. theta energy: 5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1094.324042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.324042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.324042 (E_RNA) where: Base-Base interactions energy: -747.719 where: short stacking energy: -333.915 Base-Backbone interact. energy: -0.806 local terms energy: -345.798964 where: bonds (distance) C4'-P energy: -64.964 bonds (distance) P-C4' energy: -66.965 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -52.530 tors. eta vs tors. theta energy: -91.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1052.860547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.860547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.860547 (E_RNA) where: Base-Base interactions energy: -720.149 where: short stacking energy: -321.825 Base-Backbone interact. energy: 1.344 local terms energy: -334.055269 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -70.506 flat angles C4'-P-C4' energy: -75.085 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -81.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -922.892312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.892312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.892312 (E_RNA) where: Base-Base interactions energy: -605.642 where: short stacking energy: -284.815 Base-Backbone interact. energy: -1.117 local terms energy: -316.133085 where: bonds (distance) C4'-P energy: -59.174 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -64.385 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -75.023 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: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -936.361537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.361537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.361537 (E_RNA) where: Base-Base interactions energy: -629.291 where: short stacking energy: -279.794 Base-Backbone interact. energy: -0.996 local terms energy: -306.074833 where: bonds (distance) C4'-P energy: -57.335 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -69.148 flat angles P-C4'-P energy: -38.461 tors. eta vs tors. theta energy: -75.033 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: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -829.304174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.304174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.304174 (E_RNA) where: Base-Base interactions energy: -545.480 where: short stacking energy: -240.846 Base-Backbone interact. energy: -0.694 local terms energy: -283.130671 where: bonds (distance) C4'-P energy: -54.053 bonds (distance) P-C4' energy: -63.629 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -54.144 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: 33 Temperature: 1.150000 Total energy: -751.365153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.365153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.365153 (E_RNA) where: Base-Base interactions energy: -488.791 where: short stacking energy: -215.737 Base-Backbone interact. energy: -1.125 local terms energy: -261.448797 where: bonds (distance) C4'-P energy: -54.477 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -58.717 flat angles P-C4'-P energy: -40.180 tors. eta vs tors. theta energy: -46.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -638.476211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.476211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.476211 (E_RNA) where: Base-Base interactions energy: -394.314 where: short stacking energy: -180.122 Base-Backbone interact. energy: -1.589 local terms energy: -242.573291 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -67.055 flat angles C4'-P-C4' energy: -48.534 flat angles P-C4'-P energy: -34.710 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: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -641.825954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.825954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.825954 (E_RNA) where: Base-Base interactions energy: -402.061 where: short stacking energy: -189.436 Base-Backbone interact. energy: -2.078 local terms energy: -237.687075 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -52.328 flat angles P-C4'-P energy: -37.790 tors. eta vs tors. theta energy: -32.389 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: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -472.864471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.864471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.864471 (E_RNA) where: Base-Base interactions energy: -275.376 where: short stacking energy: -132.776 Base-Backbone interact. energy: -1.420 local terms energy: -196.068321 where: bonds (distance) C4'-P energy: -42.761 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -56.935 flat angles P-C4'-P energy: -18.071 tors. eta vs tors. theta energy: -14.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -330.397904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.397904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.397904 (E_RNA) where: Base-Base interactions energy: -136.269 where: short stacking energy: -106.763 Base-Backbone interact. energy: 3.446 local terms energy: -197.575067 where: bonds (distance) C4'-P energy: -50.416 bonds (distance) P-C4' energy: -56.867 flat angles C4'-P-C4' energy: -50.736 flat angles P-C4'-P energy: -32.438 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1094.361650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.361650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.361650 (E_RNA) where: Base-Base interactions energy: -758.833 where: short stacking energy: -334.367 Base-Backbone interact. energy: -0.716 local terms energy: -334.812542 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -72.119 flat angles P-C4'-P energy: -47.928 tors. eta vs tors. theta energy: -88.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1040.693685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.693685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.693685 (E_RNA) where: Base-Base interactions energy: -734.670 where: short stacking energy: -313.404 Base-Backbone interact. energy: -0.547 local terms energy: -305.477173 where: bonds (distance) C4'-P energy: -60.490 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -68.310 flat angles P-C4'-P energy: -31.792 tors. eta vs tors. theta energy: -84.451 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: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -968.171830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.171830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.171830 (E_RNA) where: Base-Base interactions energy: -645.246 where: short stacking energy: -318.484 Base-Backbone interact. energy: -1.758 local terms energy: -321.168452 where: bonds (distance) C4'-P energy: -65.556 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -62.867 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -85.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -923.728568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.728568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.728568 (E_RNA) where: Base-Base interactions energy: -628.801 where: short stacking energy: -287.306 Base-Backbone interact. energy: 0.043 local terms energy: -294.970018 where: bonds (distance) C4'-P energy: -56.577 bonds (distance) P-C4' energy: -59.424 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -42.585 tors. eta vs tors. theta energy: -68.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -817.140033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.140033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.140033 (E_RNA) where: Base-Base interactions energy: -547.636 where: short stacking energy: -271.182 Base-Backbone interact. energy: 3.152 local terms energy: -272.656345 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -62.350 flat angles P-C4'-P energy: -31.575 tors. eta vs tors. theta energy: -59.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -791.744313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.744313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.744313 (E_RNA) where: Base-Base interactions energy: -515.021 where: short stacking energy: -255.631 Base-Backbone interact. energy: 0.274 local terms energy: -276.997736 where: bonds (distance) C4'-P energy: -49.938 bonds (distance) P-C4' energy: -55.060 flat angles C4'-P-C4' energy: -66.220 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -63.237 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: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -658.729732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.729732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.729732 (E_RNA) where: Base-Base interactions energy: -409.052 where: short stacking energy: -214.900 Base-Backbone interact. energy: 0.800 local terms energy: -250.477372 where: bonds (distance) C4'-P energy: -50.639 bonds (distance) P-C4' energy: -66.556 flat angles C4'-P-C4' energy: -50.900 flat angles P-C4'-P energy: -38.003 tors. eta vs tors. theta energy: -44.381 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: 34 Temperature: 1.250000 Total energy: -561.576173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.576173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.576173 (E_RNA) where: Base-Base interactions energy: -339.644 where: short stacking energy: -171.327 Base-Backbone interact. energy: 3.044 local terms energy: -224.976702 where: bonds (distance) C4'-P energy: -54.153 bonds (distance) P-C4' energy: -58.163 flat angles C4'-P-C4' energy: -45.746 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: -28.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -462.329447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.329447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.329447 (E_RNA) where: Base-Base interactions energy: -281.969 where: short stacking energy: -131.639 Base-Backbone interact. energy: -2.429 local terms energy: -177.931635 where: bonds (distance) C4'-P energy: -44.982 bonds (distance) P-C4' energy: -52.483 flat angles C4'-P-C4' energy: -49.207 flat angles P-C4'-P energy: -17.307 tors. eta vs tors. theta energy: -13.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -281.568979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.568979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.568979 (E_RNA) where: Base-Base interactions energy: -100.363 where: short stacking energy: -68.508 Base-Backbone interact. energy: -2.912 local terms energy: -178.294315 where: bonds (distance) C4'-P energy: -43.738 bonds (distance) P-C4' energy: -60.393 flat angles C4'-P-C4' energy: -44.862 flat angles P-C4'-P energy: -34.101 tors. eta vs tors. theta energy: 4.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1099.232674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.232674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.232674 (E_RNA) where: Base-Base interactions energy: -764.813 where: short stacking energy: -340.353 Base-Backbone interact. energy: -0.966 local terms energy: -333.453912 where: bonds (distance) C4'-P energy: -56.279 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -70.601 flat angles P-C4'-P energy: -45.310 tors. eta vs tors. theta energy: -89.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1052.063821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.063821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.063821 (E_RNA) where: Base-Base interactions energy: -726.029 where: short stacking energy: -334.413 Base-Backbone interact. energy: 2.213 local terms energy: -328.248562 where: bonds (distance) C4'-P energy: -62.110 bonds (distance) P-C4' energy: -63.416 flat angles C4'-P-C4' energy: -66.213 flat angles P-C4'-P energy: -48.057 tors. eta vs tors. theta energy: -88.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -950.774749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.774749 (E_RNA) where: Base-Base interactions energy: -626.532 where: short stacking energy: -296.182 Base-Backbone interact. energy: -0.867 local terms energy: -323.376001 where: bonds (distance) C4'-P energy: -61.290 bonds (distance) P-C4' energy: -61.895 flat angles C4'-P-C4' energy: -73.958 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: -85.419 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: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -925.434029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.434029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.434029 (E_RNA) where: Base-Base interactions energy: -625.668 where: short stacking energy: -280.663 Base-Backbone interact. energy: -1.203 local terms energy: -298.562218 where: bonds (distance) C4'-P energy: -57.320 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -65.163 flat angles P-C4'-P energy: -43.501 tors. eta vs tors. theta energy: -70.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -821.898693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.898693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.898693 (E_RNA) where: Base-Base interactions energy: -544.880 where: short stacking energy: -271.412 Base-Backbone interact. energy: 0.545 local terms energy: -277.563615 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -51.988 flat angles C4'-P-C4' energy: -65.352 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: -67.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -770.384351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.384351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.384351 (E_RNA) where: Base-Base interactions energy: -492.261 where: short stacking energy: -225.573 Base-Backbone interact. energy: -0.238 local terms energy: -277.885444 where: bonds (distance) C4'-P energy: -58.549 bonds (distance) P-C4' energy: -66.062 flat angles C4'-P-C4' energy: -60.752 flat angles P-C4'-P energy: -30.848 tors. eta vs tors. theta energy: -61.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -698.341595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.341595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.341595 (E_RNA) where: Base-Base interactions energy: -457.211 where: short stacking energy: -223.266 Base-Backbone interact. energy: -0.691 local terms energy: -240.440330 where: bonds (distance) C4'-P energy: -44.828 bonds (distance) P-C4' energy: -58.983 flat angles C4'-P-C4' energy: -62.107 flat angles P-C4'-P energy: -29.475 tors. eta vs tors. theta energy: -45.048 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: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -602.789163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.789163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.789163 (E_RNA) where: Base-Base interactions energy: -371.428 where: short stacking energy: -186.646 Base-Backbone interact. energy: -1.258 local terms energy: -230.103706 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -41.420 flat angles C4'-P-C4' energy: -56.311 flat angles P-C4'-P energy: -36.440 tors. eta vs tors. theta energy: -41.716 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -469.198867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.198867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.198867 (E_RNA) where: Base-Base interactions energy: -282.614 where: short stacking energy: -141.796 Base-Backbone interact. energy: -1.584 local terms energy: -185.000360 where: bonds (distance) C4'-P energy: -50.394 bonds (distance) P-C4' energy: -43.324 flat angles C4'-P-C4' energy: -47.976 flat angles P-C4'-P energy: -30.498 tors. eta vs tors. theta energy: -12.807 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: 35 Temperature: 1.350000 Total energy: -311.756727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.756727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.756727 (E_RNA) where: Base-Base interactions energy: -122.343 where: short stacking energy: -90.328 Base-Backbone interact. energy: 1.081 local terms energy: -190.495300 where: bonds (distance) C4'-P energy: -55.741 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -49.691 flat angles P-C4'-P energy: -28.143 tors. eta vs tors. theta energy: 3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1098.947137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.947137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.947137 (E_RNA) where: Base-Base interactions energy: -751.677 where: short stacking energy: -349.702 Base-Backbone interact. energy: -0.776 local terms energy: -346.493864 where: bonds (distance) C4'-P energy: -65.048 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -48.305 tors. eta vs tors. theta energy: -102.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1052.787187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.787187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.787187 (E_RNA) where: Base-Base interactions energy: -726.229 where: short stacking energy: -319.369 Base-Backbone interact. energy: 1.042 local terms energy: -327.600630 where: bonds (distance) C4'-P energy: -56.309 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -70.700 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -84.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -958.804810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.804810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.804810 (E_RNA) where: Base-Base interactions energy: -659.944 where: short stacking energy: -298.613 Base-Backbone interact. energy: -1.099 local terms energy: -297.761767 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -65.908 flat angles C4'-P-C4' energy: -67.614 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -73.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -917.539374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.539374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.539374 (E_RNA) where: Base-Base interactions energy: -616.172 where: short stacking energy: -289.912 Base-Backbone interact. energy: -1.142 local terms energy: -300.224940 where: bonds (distance) C4'-P energy: -63.196 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -57.476 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -79.151 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: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -860.191813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.191813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.191813 (E_RNA) where: Base-Base interactions energy: -584.114 where: short stacking energy: -246.433 Base-Backbone interact. energy: -0.577 local terms energy: -275.500834 where: bonds (distance) C4'-P energy: -50.383 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -37.474 tors. eta vs tors. theta energy: -64.101 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -769.932122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.932122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.932122 (E_RNA) where: Base-Base interactions energy: -501.777 where: short stacking energy: -226.668 Base-Backbone interact. energy: -2.481 local terms energy: -265.673894 where: bonds (distance) C4'-P energy: -55.842 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -50.592 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -44.979 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: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -743.136893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.136893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.136893 (E_RNA) where: Base-Base interactions energy: -488.147 where: short stacking energy: -227.764 Base-Backbone interact. energy: -1.586 local terms energy: -253.403947 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -55.257 flat angles C4'-P-C4' energy: -54.674 flat angles P-C4'-P energy: -35.753 tors. eta vs tors. theta energy: -52.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -596.390676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.390676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.390676 (E_RNA) where: Base-Base interactions energy: -375.131 where: short stacking energy: -188.399 Base-Backbone interact. energy: -0.648 local terms energy: -220.611460 where: bonds (distance) C4'-P energy: -42.147 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -42.025 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -33.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -498.783496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.783496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.783496 (E_RNA) where: Base-Base interactions energy: -303.509 where: short stacking energy: -141.924 Base-Backbone interact. energy: -1.430 local terms energy: -193.845432 where: bonds (distance) C4'-P energy: -49.411 bonds (distance) P-C4' energy: -45.937 flat angles C4'-P-C4' energy: -48.525 flat angles P-C4'-P energy: -32.318 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: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -278.530403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.530403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.530403 (E_RNA) where: Base-Base interactions energy: -105.496 where: short stacking energy: -100.035 Base-Backbone interact. energy: -1.226 local terms energy: -171.807948 where: bonds (distance) C4'-P energy: -58.020 bonds (distance) P-C4' energy: -54.709 flat angles C4'-P-C4' energy: -43.232 flat angles P-C4'-P energy: -16.655 tors. eta vs tors. theta energy: 0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1104.412762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.412762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.412762 (E_RNA) where: Base-Base interactions energy: -745.112 where: short stacking energy: -360.101 Base-Backbone interact. energy: -1.088 local terms energy: -358.213328 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -67.113 flat angles C4'-P-C4' energy: -74.618 flat angles P-C4'-P energy: -52.874 tors. eta vs tors. theta energy: -101.743 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1030.537239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.537239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.537239 (E_RNA) where: Base-Base interactions energy: -697.381 where: short stacking energy: -300.260 Base-Backbone interact. energy: -1.457 local terms energy: -331.698385 where: bonds (distance) C4'-P energy: -62.842 bonds (distance) P-C4' energy: -66.165 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -82.514 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: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -998.501372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.501372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.501372 (E_RNA) where: Base-Base interactions energy: -681.682 where: short stacking energy: -292.928 Base-Backbone interact. energy: -1.494 local terms energy: -315.325601 where: bonds (distance) C4'-P energy: -71.098 bonds (distance) P-C4' energy: -58.295 flat angles C4'-P-C4' energy: -73.790 flat angles P-C4'-P energy: -40.534 tors. eta vs tors. theta energy: -71.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -951.244183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.244183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.244183 (E_RNA) where: Base-Base interactions energy: -624.315 where: short stacking energy: -291.524 Base-Backbone interact. energy: -0.837 local terms energy: -326.091938 where: bonds (distance) C4'-P energy: -64.106 bonds (distance) P-C4' energy: -60.562 flat angles C4'-P-C4' energy: -73.866 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -80.394 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: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -903.146500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.146500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.146500 (E_RNA) where: Base-Base interactions energy: -646.080 where: short stacking energy: -274.095 Base-Backbone interact. energy: 1.231 local terms energy: -258.297250 where: bonds (distance) C4'-P energy: -51.663 bonds (distance) P-C4' energy: -49.123 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -34.221 tors. eta vs tors. theta energy: -60.544 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: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -749.786367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.786367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.786367 (E_RNA) where: Base-Base interactions energy: -484.812 where: short stacking energy: -215.836 Base-Backbone interact. energy: -2.121 local terms energy: -262.852426 where: bonds (distance) C4'-P energy: -60.008 bonds (distance) P-C4' energy: -46.977 flat angles C4'-P-C4' energy: -61.658 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -54.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -726.377433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.377433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.377433 (E_RNA) where: Base-Base interactions energy: -455.334 where: short stacking energy: -201.750 Base-Backbone interact. energy: -1.181 local terms energy: -269.862585 where: bonds (distance) C4'-P energy: -60.254 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -55.847 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -46.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -616.960915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.960915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.960915 (E_RNA) where: Base-Base interactions energy: -380.214 where: short stacking energy: -200.175 Base-Backbone interact. energy: 1.608 local terms energy: -238.355244 where: bonds (distance) C4'-P energy: -53.550 bonds (distance) P-C4' energy: -54.997 flat angles C4'-P-C4' energy: -58.721 flat angles P-C4'-P energy: -28.933 tors. eta vs tors. theta energy: -42.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -555.834223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.834223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.834223 (E_RNA) where: Base-Base interactions energy: -359.203 where: short stacking energy: -172.163 Base-Backbone interact. energy: 2.557 local terms energy: -199.188213 where: bonds (distance) C4'-P energy: -42.326 bonds (distance) P-C4' energy: -53.608 flat angles C4'-P-C4' energy: -49.860 flat angles P-C4'-P energy: -19.101 tors. eta vs tors. theta energy: -34.292 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: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -280.007680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.007680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.007680 (E_RNA) where: Base-Base interactions energy: -107.921 where: short stacking energy: -97.005 Base-Backbone interact. energy: 4.949 local terms energy: -177.036029 where: bonds (distance) C4'-P energy: -57.211 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -47.410 flat angles P-C4'-P energy: -23.316 tors. eta vs tors. theta energy: 15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1080.021589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.021589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.021589 (E_RNA) where: Base-Base interactions energy: -723.410 where: short stacking energy: -337.528 Base-Backbone interact. energy: 1.095 local terms energy: -357.705847 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -75.421 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -99.190 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: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1029.693285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.693285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.693285 (E_RNA) where: Base-Base interactions energy: -698.114 where: short stacking energy: -307.703 Base-Backbone interact. energy: -0.521 local terms energy: -331.057810 where: bonds (distance) C4'-P energy: -66.308 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -75.936 flat angles P-C4'-P energy: -41.711 tors. eta vs tors. theta energy: -84.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1017.652619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.652619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.652619 (E_RNA) where: Base-Base interactions energy: -716.411 where: short stacking energy: -297.152 Base-Backbone interact. energy: -1.637 local terms energy: -299.605013 where: bonds (distance) C4'-P energy: -58.334 bonds (distance) P-C4' energy: -59.545 flat angles C4'-P-C4' energy: -68.031 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: -79.043 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: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -923.206316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.206316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.206316 (E_RNA) where: Base-Base interactions energy: -622.075 where: short stacking energy: -294.531 Base-Backbone interact. energy: -1.643 local terms energy: -299.487735 where: bonds (distance) C4'-P energy: -53.826 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -40.400 tors. eta vs tors. theta energy: -77.991 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: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -959.891259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.891259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.891259 (E_RNA) where: Base-Base interactions energy: -669.525 where: short stacking energy: -298.838 Base-Backbone interact. energy: -1.054 local terms energy: -289.312264 where: bonds (distance) C4'-P energy: -61.789 bonds (distance) P-C4' energy: -49.242 flat angles C4'-P-C4' energy: -62.431 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -78.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -692.211471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.211471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.211471 (E_RNA) where: Base-Base interactions energy: -435.818 where: short stacking energy: -230.247 Base-Backbone interact. energy: -0.608 local terms energy: -255.785713 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -55.041 flat angles C4'-P-C4' energy: -58.382 flat angles P-C4'-P energy: -35.308 tors. eta vs tors. theta energy: -56.246 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: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -686.759080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.759080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.759080 (E_RNA) where: Base-Base interactions energy: -433.482 where: short stacking energy: -211.760 Base-Backbone interact. energy: -0.204 local terms energy: -253.073952 where: bonds (distance) C4'-P energy: -62.324 bonds (distance) P-C4' energy: -52.559 flat angles C4'-P-C4' energy: -60.298 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -41.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -614.598717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.598717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.598717 (E_RNA) where: Base-Base interactions energy: -382.695 where: short stacking energy: -195.103 Base-Backbone interact. energy: -0.394 local terms energy: -231.509825 where: bonds (distance) C4'-P energy: -47.684 bonds (distance) P-C4' energy: -46.761 flat angles C4'-P-C4' energy: -51.391 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -47.637 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: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -549.704202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.704202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.704202 (E_RNA) where: Base-Base interactions energy: -336.312 where: short stacking energy: -153.007 Base-Backbone interact. energy: 0.645 local terms energy: -214.037452 where: bonds (distance) C4'-P energy: -55.224 bonds (distance) P-C4' energy: -53.960 flat angles C4'-P-C4' energy: -52.846 flat angles P-C4'-P energy: -26.241 tors. eta vs tors. theta energy: -25.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -322.623224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.623224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.623224 (E_RNA) where: Base-Base interactions energy: -160.795 where: short stacking energy: -112.418 Base-Backbone interact. energy: 1.358 local terms energy: -163.185910 where: bonds (distance) C4'-P energy: -43.151 bonds (distance) P-C4' energy: -49.284 flat angles C4'-P-C4' energy: -41.739 flat angles P-C4'-P energy: -25.046 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1069.399441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.399441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.399441 (E_RNA) where: Base-Base interactions energy: -729.258 where: short stacking energy: -328.592 Base-Backbone interact. energy: -2.178 local terms energy: -337.963270 where: bonds (distance) C4'-P energy: -69.079 bonds (distance) P-C4' energy: -58.066 flat angles C4'-P-C4' energy: -69.761 flat angles P-C4'-P energy: -48.801 tors. eta vs tors. theta energy: -92.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1053.874074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.874074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.874074 (E_RNA) where: Base-Base interactions energy: -733.669 where: short stacking energy: -321.683 Base-Backbone interact. energy: -0.858 local terms energy: -319.346507 where: bonds (distance) C4'-P energy: -62.191 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -77.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1021.885754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.885754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.885754 (E_RNA) where: Base-Base interactions energy: -716.825 where: short stacking energy: -308.845 Base-Backbone interact. energy: -1.147 local terms energy: -303.914510 where: bonds (distance) C4'-P energy: -64.621 bonds (distance) P-C4' energy: -55.946 flat angles C4'-P-C4' energy: -68.556 flat angles P-C4'-P energy: -36.939 tors. eta vs tors. theta energy: -77.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -942.324855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.324855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.324855 (E_RNA) where: Base-Base interactions energy: -649.845 where: short stacking energy: -281.596 Base-Backbone interact. energy: 0.112 local terms energy: -292.591986 where: bonds (distance) C4'-P energy: -62.923 bonds (distance) P-C4' energy: -58.973 flat angles C4'-P-C4' energy: -58.900 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: -76.064 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: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -923.846009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.846009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.846009 (E_RNA) where: Base-Base interactions energy: -626.266 where: short stacking energy: -257.621 Base-Backbone interact. energy: 0.553 local terms energy: -298.132698 where: bonds (distance) C4'-P energy: -57.595 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -70.784 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: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -727.226268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.226268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.226268 (E_RNA) where: Base-Base interactions energy: -460.970 where: short stacking energy: -231.073 Base-Backbone interact. energy: 1.068 local terms energy: -267.323890 where: bonds (distance) C4'-P energy: -60.728 bonds (distance) P-C4' energy: -52.396 flat angles C4'-P-C4' energy: -63.826 flat angles P-C4'-P energy: -42.985 tors. eta vs tors. theta energy: -47.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -727.776743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.776743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.776743 (E_RNA) where: Base-Base interactions energy: -469.181 where: short stacking energy: -221.833 Base-Backbone interact. energy: -0.386 local terms energy: -258.209408 where: bonds (distance) C4'-P energy: -46.408 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -62.068 flat angles P-C4'-P energy: -35.289 tors. eta vs tors. theta energy: -54.853 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: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -569.005755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.005755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.005755 (E_RNA) where: Base-Base interactions energy: -324.874 where: short stacking energy: -175.439 Base-Backbone interact. energy: -0.634 local terms energy: -243.497660 where: bonds (distance) C4'-P energy: -63.025 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -59.978 flat angles P-C4'-P energy: -23.631 tors. eta vs tors. theta energy: -34.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -537.490802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.490802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.490802 (E_RNA) where: Base-Base interactions energy: -326.335 where: short stacking energy: -150.784 Base-Backbone interact. energy: -1.036 local terms energy: -210.120220 where: bonds (distance) C4'-P energy: -47.946 bonds (distance) P-C4' energy: -50.383 flat angles C4'-P-C4' energy: -57.053 flat angles P-C4'-P energy: -32.137 tors. eta vs tors. theta energy: -22.602 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: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -291.859564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.859564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.859564 (E_RNA) where: Base-Base interactions energy: -128.608 where: short stacking energy: -81.448 Base-Backbone interact. energy: 0.628 local terms energy: -163.879347 where: bonds (distance) C4'-P energy: -47.416 bonds (distance) P-C4' energy: -51.078 flat angles C4'-P-C4' energy: -45.367 flat angles P-C4'-P energy: -27.426 tors. eta vs tors. theta energy: 7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1080.053494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.053494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.053494 (E_RNA) where: Base-Base interactions energy: -760.796 where: short stacking energy: -338.058 Base-Backbone interact. energy: -0.407 local terms energy: -318.850635 where: bonds (distance) C4'-P energy: -62.172 bonds (distance) P-C4' energy: -68.925 flat angles C4'-P-C4' energy: -70.492 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: -81.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1056.626484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.626484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.626484 (E_RNA) where: Base-Base interactions energy: -728.814 where: short stacking energy: -339.424 Base-Backbone interact. energy: -2.184 local terms energy: -325.628457 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -61.222 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -89.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1004.373950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.373950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.373950 (E_RNA) where: Base-Base interactions energy: -700.668 where: short stacking energy: -308.928 Base-Backbone interact. energy: 0.117 local terms energy: -303.823140 where: bonds (distance) C4'-P energy: -58.673 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -34.579 tors. eta vs tors. theta energy: -87.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -951.886592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.886592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.886592 (E_RNA) where: Base-Base interactions energy: -647.666 where: short stacking energy: -278.398 Base-Backbone interact. energy: 0.089 local terms energy: -304.309095 where: bonds (distance) C4'-P energy: -54.521 bonds (distance) P-C4' energy: -63.055 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: -70.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -926.355347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.355347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.355347 (E_RNA) where: Base-Base interactions energy: -641.341 where: short stacking energy: -267.844 Base-Backbone interact. energy: -0.210 local terms energy: -284.804934 where: bonds (distance) C4'-P energy: -41.401 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -61.121 flat angles P-C4'-P energy: -45.584 tors. eta vs tors. theta energy: -74.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -735.230133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.230133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.230133 (E_RNA) where: Base-Base interactions energy: -482.382 where: short stacking energy: -236.541 Base-Backbone interact. energy: 0.772 local terms energy: -253.620633 where: bonds (distance) C4'-P energy: -40.856 bonds (distance) P-C4' energy: -49.397 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -52.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -783.299293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.299293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.299293 (E_RNA) where: Base-Base interactions energy: -511.685 where: short stacking energy: -238.169 Base-Backbone interact. energy: -0.307 local terms energy: -271.307243 where: bonds (distance) C4'-P energy: -52.113 bonds (distance) P-C4' energy: -55.065 flat angles C4'-P-C4' energy: -57.496 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -64.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -611.828819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.828819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.828819 (E_RNA) where: Base-Base interactions energy: -371.043 where: short stacking energy: -208.015 Base-Backbone interact. energy: 5.464 local terms energy: -246.250463 where: bonds (distance) C4'-P energy: -56.283 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -50.268 flat angles P-C4'-P energy: -36.956 tors. eta vs tors. theta energy: -45.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -560.490573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.490573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.490573 (E_RNA) where: Base-Base interactions energy: -345.516 where: short stacking energy: -167.947 Base-Backbone interact. energy: -0.978 local terms energy: -213.996712 where: bonds (distance) C4'-P energy: -45.754 bonds (distance) P-C4' energy: -55.096 flat angles C4'-P-C4' energy: -47.918 flat angles P-C4'-P energy: -32.248 tors. eta vs tors. theta energy: -32.980 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: 40 Temperature: 1.350000 Total energy: -321.588692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.588692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.588692 (E_RNA) where: Base-Base interactions energy: -149.910 where: short stacking energy: -102.399 Base-Backbone interact. energy: -0.365 local terms energy: -171.313127 where: bonds (distance) C4'-P energy: -51.657 bonds (distance) P-C4' energy: -65.511 flat angles C4'-P-C4' energy: -31.286 flat angles P-C4'-P energy: -19.220 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: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1089.293880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.293880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.293880 (E_RNA) where: Base-Base interactions energy: -763.394 where: short stacking energy: -318.233 Base-Backbone interact. energy: 0.957 local terms energy: -326.856240 where: bonds (distance) C4'-P energy: -58.670 bonds (distance) P-C4' energy: -61.402 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -47.437 tors. eta vs tors. theta energy: -86.867 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: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1092.210608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.210608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.210608 (E_RNA) where: Base-Base interactions energy: -751.151 where: short stacking energy: -325.838 Base-Backbone interact. energy: -2.062 local terms energy: -338.997688 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -65.146 flat angles C4'-P-C4' energy: -67.529 flat angles P-C4'-P energy: -51.567 tors. eta vs tors. theta energy: -92.457 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: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1047.175423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.175423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.175423 (E_RNA) where: Base-Base interactions energy: -739.231 where: short stacking energy: -317.812 Base-Backbone interact. energy: 3.631 local terms energy: -311.575840 where: bonds (distance) C4'-P energy: -52.111 bonds (distance) P-C4' energy: -59.356 flat angles C4'-P-C4' energy: -73.137 flat angles P-C4'-P energy: -41.088 tors. eta vs tors. theta energy: -85.883 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: 6 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -959.106442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.106442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.106442 (E_RNA) where: Base-Base interactions energy: -651.541 where: short stacking energy: -288.844 Base-Backbone interact. energy: 0.777 local terms energy: -308.342897 where: bonds (distance) C4'-P energy: -64.809 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -46.667 tors. eta vs tors. theta energy: -72.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1007.361536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.361536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.361536 (E_RNA) where: Base-Base interactions energy: -687.412 where: short stacking energy: -310.628 Base-Backbone interact. energy: 0.559 local terms energy: -320.508880 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -66.613 flat angles P-C4'-P energy: -41.714 tors. eta vs tors. theta energy: -82.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -818.888910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.888910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.888910 (E_RNA) where: Base-Base interactions energy: -542.753 where: short stacking energy: -241.359 Base-Backbone interact. energy: -0.234 local terms energy: -275.901110 where: bonds (distance) C4'-P energy: -45.562 bonds (distance) P-C4' energy: -64.823 flat angles C4'-P-C4' energy: -61.572 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -63.909 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: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -685.783236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.783236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.783236 (E_RNA) where: Base-Base interactions energy: -438.599 where: short stacking energy: -206.886 Base-Backbone interact. energy: 1.383 local terms energy: -248.567875 where: bonds (distance) C4'-P energy: -55.097 bonds (distance) P-C4' energy: -47.949 flat angles C4'-P-C4' energy: -56.932 flat angles P-C4'-P energy: -45.276 tors. eta vs tors. theta energy: -43.314 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: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -608.334094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.334094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.334094 (E_RNA) where: Base-Base interactions energy: -376.131 where: short stacking energy: -174.774 Base-Backbone interact. energy: -0.447 local terms energy: -231.756631 where: bonds (distance) C4'-P energy: -58.491 bonds (distance) P-C4' energy: -45.836 flat angles C4'-P-C4' energy: -59.194 flat angles P-C4'-P energy: -41.623 tors. eta vs tors. theta energy: -26.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -538.084826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.084826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.084826 (E_RNA) where: Base-Base interactions energy: -322.239 where: short stacking energy: -151.093 Base-Backbone interact. energy: 7.184 local terms energy: -223.029197 where: bonds (distance) C4'-P energy: -56.398 bonds (distance) P-C4' energy: -51.142 flat angles C4'-P-C4' energy: -58.821 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -15.011 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -363.471771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.471771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.471771 (E_RNA) where: Base-Base interactions energy: -171.042 where: short stacking energy: -101.059 Base-Backbone interact. energy: -1.303 local terms energy: -191.126493 where: bonds (distance) C4'-P energy: -51.940 bonds (distance) P-C4' energy: -48.503 flat angles C4'-P-C4' energy: -58.240 flat angles P-C4'-P energy: -28.500 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1083.577241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.577241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.577241 (E_RNA) where: Base-Base interactions energy: -742.646 where: short stacking energy: -336.904 Base-Backbone interact. energy: -2.247 local terms energy: -338.685106 where: bonds (distance) C4'-P energy: -61.873 bonds (distance) P-C4' energy: -68.895 flat angles C4'-P-C4' energy: -63.273 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: -94.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1082.366681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.366681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.366681 (E_RNA) where: Base-Base interactions energy: -761.988 where: short stacking energy: -326.401 Base-Backbone interact. energy: -1.813 local terms energy: -318.566234 where: bonds (distance) C4'-P energy: -64.323 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -76.965 flat angles P-C4'-P energy: -42.672 tors. eta vs tors. theta energy: -73.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1064.408002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.408002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.408002 (E_RNA) where: Base-Base interactions energy: -733.628 where: short stacking energy: -309.295 Base-Backbone interact. energy: -1.384 local terms energy: -329.396816 where: bonds (distance) C4'-P energy: -53.530 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -77.661 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -84.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -912.167051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.167051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.167051 (E_RNA) where: Base-Base interactions energy: -615.310 where: short stacking energy: -296.604 Base-Backbone interact. energy: 3.491 local terms energy: -300.348318 where: bonds (distance) C4'-P energy: -66.706 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -39.759 tors. eta vs tors. theta energy: -80.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -968.000729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.000729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.000729 (E_RNA) where: Base-Base interactions energy: -668.661 where: short stacking energy: -295.141 Base-Backbone interact. energy: -1.297 local terms energy: -298.043144 where: bonds (distance) C4'-P energy: -60.349 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -35.210 tors. eta vs tors. theta energy: -75.111 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: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -828.767174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.767174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.767174 (E_RNA) where: Base-Base interactions energy: -556.119 where: short stacking energy: -247.149 Base-Backbone interact. energy: -0.413 local terms energy: -272.234894 where: bonds (distance) C4'-P energy: -54.042 bonds (distance) P-C4' energy: -63.073 flat angles C4'-P-C4' energy: -64.236 flat angles P-C4'-P energy: -26.230 tors. eta vs tors. theta energy: -64.653 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: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -712.001055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.001055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.001055 (E_RNA) where: Base-Base interactions energy: -469.719 where: short stacking energy: -214.540 Base-Backbone interact. energy: -0.516 local terms energy: -241.766316 where: bonds (distance) C4'-P energy: -60.777 bonds (distance) P-C4' energy: -42.526 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -34.121 tors. eta vs tors. theta energy: -43.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -653.840621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.840621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.840621 (E_RNA) where: Base-Base interactions energy: -425.703 where: short stacking energy: -168.042 Base-Backbone interact. energy: -2.417 local terms energy: -225.720749 where: bonds (distance) C4'-P energy: -51.940 bonds (distance) P-C4' energy: -58.540 flat angles C4'-P-C4' energy: -51.782 flat angles P-C4'-P energy: -35.536 tors. eta vs tors. theta energy: -27.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -585.834078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.834078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.834078 (E_RNA) where: Base-Base interactions energy: -354.500 where: short stacking energy: -175.747 Base-Backbone interact. energy: -1.034 local terms energy: -230.300176 where: bonds (distance) C4'-P energy: -49.526 bonds (distance) P-C4' energy: -59.378 flat angles C4'-P-C4' energy: -47.280 flat angles P-C4'-P energy: -33.859 tors. eta vs tors. theta energy: -40.256 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: 42 Temperature: 1.350000 Total energy: -360.962795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.962795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.962795 (E_RNA) where: Base-Base interactions energy: -177.815 where: short stacking energy: -101.868 Base-Backbone interact. energy: -1.103 local terms energy: -182.044470 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -62.594 flat angles C4'-P-C4' energy: -42.940 flat angles P-C4'-P energy: -16.095 tors. eta vs tors. theta energy: -9.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1082.290414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.290414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.290414 (E_RNA) where: Base-Base interactions energy: -727.545 where: short stacking energy: -343.158 Base-Backbone interact. energy: -0.894 local terms energy: -353.851101 where: bonds (distance) C4'-P energy: -66.906 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -67.621 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -96.479 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: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1053.488374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.488374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.488374 (E_RNA) where: Base-Base interactions energy: -737.131 where: short stacking energy: -319.039 Base-Backbone interact. energy: 0.308 local terms energy: -316.665246 where: bonds (distance) C4'-P energy: -62.577 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -71.063 flat angles P-C4'-P energy: -41.310 tors. eta vs tors. theta energy: -83.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1022.691268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.691268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.691268 (E_RNA) where: Base-Base interactions energy: -703.928 where: short stacking energy: -292.742 Base-Backbone interact. energy: -0.440 local terms energy: -318.323684 where: bonds (distance) C4'-P energy: -59.197 bonds (distance) P-C4' energy: -58.696 flat angles C4'-P-C4' energy: -62.848 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: -87.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1016.863763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.863763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.863763 (E_RNA) where: Base-Base interactions energy: -689.612 where: short stacking energy: -329.767 Base-Backbone interact. energy: -1.279 local terms energy: -325.971809 where: bonds (distance) C4'-P energy: -61.698 bonds (distance) P-C4' energy: -62.382 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -88.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -914.128971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.128971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.128971 (E_RNA) where: Base-Base interactions energy: -599.401 where: short stacking energy: -291.018 Base-Backbone interact. energy: -0.296 local terms energy: -314.431794 where: bonds (distance) C4'-P energy: -51.471 bonds (distance) P-C4' energy: -61.586 flat angles C4'-P-C4' energy: -65.113 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -84.808 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: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -850.699687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.699687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.699687 (E_RNA) where: Base-Base interactions energy: -573.984 where: short stacking energy: -265.397 Base-Backbone interact. energy: -1.298 local terms energy: -275.418259 where: bonds (distance) C4'-P energy: -41.206 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -64.679 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -76.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -701.605002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.605002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.605002 (E_RNA) where: Base-Base interactions energy: -453.183 where: short stacking energy: -210.309 Base-Backbone interact. energy: -1.986 local terms energy: -246.436285 where: bonds (distance) C4'-P energy: -52.019 bonds (distance) P-C4' energy: -51.889 flat angles C4'-P-C4' energy: -60.326 flat angles P-C4'-P energy: -34.359 tors. eta vs tors. theta energy: -47.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -765.645949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.645949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.645949 (E_RNA) where: Base-Base interactions energy: -504.670 where: short stacking energy: -226.705 Base-Backbone interact. energy: 3.260 local terms energy: -264.236209 where: bonds (distance) C4'-P energy: -62.429 bonds (distance) P-C4' energy: -57.797 flat angles C4'-P-C4' energy: -57.371 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: -55.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -588.775909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.775909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.775909 (E_RNA) where: Base-Base interactions energy: -375.675 where: short stacking energy: -166.493 Base-Backbone interact. energy: -0.293 local terms energy: -212.807158 where: bonds (distance) C4'-P energy: -36.474 bonds (distance) P-C4' energy: -54.746 flat angles C4'-P-C4' energy: -57.381 flat angles P-C4'-P energy: -21.274 tors. eta vs tors. theta energy: -42.933 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: 43 Temperature: 1.350000 Total energy: -383.004537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.004537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.004537 (E_RNA) where: Base-Base interactions energy: -194.055 where: short stacking energy: -96.914 Base-Backbone interact. energy: -0.852 local terms energy: -188.097380 where: bonds (distance) C4'-P energy: -51.934 bonds (distance) P-C4' energy: -57.237 flat angles C4'-P-C4' energy: -49.045 flat angles P-C4'-P energy: -26.475 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1108.138789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.138789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.138789 (E_RNA) where: Base-Base interactions energy: -783.054 where: short stacking energy: -338.184 Base-Backbone interact. energy: 0.607 local terms energy: -325.691329 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -69.466 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: -96.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1057.708376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.708376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.708376 (E_RNA) where: Base-Base interactions energy: -732.018 where: short stacking energy: -332.586 Base-Backbone interact. energy: 1.339 local terms energy: -327.028712 where: bonds (distance) C4'-P energy: -59.677 bonds (distance) P-C4' energy: -65.031 flat angles C4'-P-C4' energy: -72.906 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -85.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1029.128748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.128748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.128748 (E_RNA) where: Base-Base interactions energy: -687.573 where: short stacking energy: -317.078 Base-Backbone interact. energy: -1.443 local terms energy: -340.112194 where: bonds (distance) C4'-P energy: -65.506 bonds (distance) P-C4' energy: -77.842 flat angles C4'-P-C4' energy: -62.544 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -90.956 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: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -987.072675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.072675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.072675 (E_RNA) where: Base-Base interactions energy: -692.969 where: short stacking energy: -286.731 Base-Backbone interact. energy: -0.998 local terms energy: -293.105482 where: bonds (distance) C4'-P energy: -44.331 bonds (distance) P-C4' energy: -56.142 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -77.217 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: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -906.595710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.595710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.595710 (E_RNA) where: Base-Base interactions energy: -609.359 where: short stacking energy: -274.557 Base-Backbone interact. energy: -0.499 local terms energy: -296.737586 where: bonds (distance) C4'-P energy: -51.931 bonds (distance) P-C4' energy: -58.632 flat angles C4'-P-C4' energy: -63.136 flat angles P-C4'-P energy: -42.739 tors. eta vs tors. theta energy: -80.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -862.736519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.736519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.736519 (E_RNA) where: Base-Base interactions energy: -554.504 where: short stacking energy: -271.197 Base-Backbone interact. energy: 1.335 local terms energy: -309.566938 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -37.821 tors. eta vs tors. theta energy: -78.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -792.803030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.803030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.803030 (E_RNA) where: Base-Base interactions energy: -548.372 where: short stacking energy: -242.271 Base-Backbone interact. energy: 5.990 local terms energy: -250.420824 where: bonds (distance) C4'-P energy: -48.812 bonds (distance) P-C4' energy: -42.259 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -29.726 tors. eta vs tors. theta energy: -64.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -672.182099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.182099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.182099 (E_RNA) where: Base-Base interactions energy: -424.307 where: short stacking energy: -182.032 Base-Backbone interact. energy: 0.440 local terms energy: -248.314540 where: bonds (distance) C4'-P energy: -58.420 bonds (distance) P-C4' energy: -53.614 flat angles C4'-P-C4' energy: -54.794 flat angles P-C4'-P energy: -36.975 tors. eta vs tors. theta energy: -44.511 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: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -556.922376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.922376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.922376 (E_RNA) where: Base-Base interactions energy: -349.113 where: short stacking energy: -156.809 Base-Backbone interact. energy: 0.234 local terms energy: -208.043247 where: bonds (distance) C4'-P energy: -50.151 bonds (distance) P-C4' energy: -61.375 flat angles C4'-P-C4' energy: -49.767 flat angles P-C4'-P energy: -22.592 tors. eta vs tors. theta energy: -24.158 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: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -472.359098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.359098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.359098 (E_RNA) where: Base-Base interactions energy: -274.052 where: short stacking energy: -129.565 Base-Backbone interact. energy: 0.443 local terms energy: -198.750006 where: bonds (distance) C4'-P energy: -58.396 bonds (distance) P-C4' energy: -49.963 flat angles C4'-P-C4' energy: -47.209 flat angles P-C4'-P energy: -29.106 tors. eta vs tors. theta energy: -14.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1108.630951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.630951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.630951 (E_RNA) where: Base-Base interactions energy: -762.726 where: short stacking energy: -341.306 Base-Backbone interact. energy: -0.884 local terms energy: -345.021005 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -63.551 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -44.514 tors. eta vs tors. theta energy: -96.909 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: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1086.430429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.430429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.430429 (E_RNA) where: Base-Base interactions energy: -754.621 where: short stacking energy: -340.061 Base-Backbone interact. energy: -0.335 local terms energy: -331.474085 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -54.371 flat angles C4'-P-C4' energy: -70.063 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -98.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1035.204085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.204085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.204085 (E_RNA) where: Base-Base interactions energy: -718.209 where: short stacking energy: -314.238 Base-Backbone interact. energy: -2.780 local terms energy: -314.214668 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -68.902 flat angles P-C4'-P energy: -40.583 tors. eta vs tors. theta energy: -82.800 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: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -966.309126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.309126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.309126 (E_RNA) where: Base-Base interactions energy: -664.693 where: short stacking energy: -278.874 Base-Backbone interact. energy: -1.928 local terms energy: -299.688745 where: bonds (distance) C4'-P energy: -53.235 bonds (distance) P-C4' energy: -67.036 flat angles C4'-P-C4' energy: -73.221 flat angles P-C4'-P energy: -38.777 tors. eta vs tors. theta energy: -67.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -882.212412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.212412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.212412 (E_RNA) where: Base-Base interactions energy: -599.915 where: short stacking energy: -279.198 Base-Backbone interact. energy: -0.398 local terms energy: -281.899549 where: bonds (distance) C4'-P energy: -47.970 bonds (distance) P-C4' energy: -55.984 flat angles C4'-P-C4' energy: -57.526 flat angles P-C4'-P energy: -36.853 tors. eta vs tors. theta energy: -83.566 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: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -855.530319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.530319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.530319 (E_RNA) where: Base-Base interactions energy: -572.639 where: short stacking energy: -253.487 Base-Backbone interact. energy: -2.260 local terms energy: -280.630743 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -61.469 flat angles C4'-P-C4' energy: -50.264 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: -65.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -755.572815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.572815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.572815 (E_RNA) where: Base-Base interactions energy: -506.978 where: short stacking energy: -228.963 Base-Backbone interact. energy: 0.379 local terms energy: -248.973648 where: bonds (distance) C4'-P energy: -53.488 bonds (distance) P-C4' energy: -52.122 flat angles C4'-P-C4' energy: -49.489 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: -50.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -614.205938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.205938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.205938 (E_RNA) where: Base-Base interactions energy: -373.763 where: short stacking energy: -198.276 Base-Backbone interact. energy: -0.470 local terms energy: -239.973322 where: bonds (distance) C4'-P energy: -58.384 bonds (distance) P-C4' energy: -58.368 flat angles C4'-P-C4' energy: -53.699 flat angles P-C4'-P energy: -26.615 tors. eta vs tors. theta energy: -42.908 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: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -589.208621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.208621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.208621 (E_RNA) where: Base-Base interactions energy: -378.235 where: short stacking energy: -187.540 Base-Backbone interact. energy: 1.015 local terms energy: -211.988960 where: bonds (distance) C4'-P energy: -42.476 bonds (distance) P-C4' energy: -53.450 flat angles C4'-P-C4' energy: -55.309 flat angles P-C4'-P energy: -20.576 tors. eta vs tors. theta energy: -40.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -498.716328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.716328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.716328 (E_RNA) where: Base-Base interactions energy: -267.920 where: short stacking energy: -137.608 Base-Backbone interact. energy: 4.066 local terms energy: -234.862493 where: bonds (distance) C4'-P energy: -52.539 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -55.776 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -29.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1127.101003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.101003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.101003 (E_RNA) where: Base-Base interactions energy: -778.423 where: short stacking energy: -355.934 Base-Backbone interact. energy: -0.611 local terms energy: -348.066807 where: bonds (distance) C4'-P energy: -60.455 bonds (distance) P-C4' energy: -65.921 flat angles C4'-P-C4' energy: -74.808 flat angles P-C4'-P energy: -48.925 tors. eta vs tors. theta energy: -97.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1083.510225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.510225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.510225 (E_RNA) where: Base-Base interactions energy: -744.343 where: short stacking energy: -341.094 Base-Backbone interact. energy: -0.864 local terms energy: -338.302710 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -64.048 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -98.864 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: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1045.223844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.223844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.223844 (E_RNA) where: Base-Base interactions energy: -740.961 where: short stacking energy: -314.161 Base-Backbone interact. energy: -2.550 local terms energy: -301.712805 where: bonds (distance) C4'-P energy: -58.544 bonds (distance) P-C4' energy: -53.480 flat angles C4'-P-C4' energy: -70.564 flat angles P-C4'-P energy: -38.127 tors. eta vs tors. theta energy: -80.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -972.251886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.251886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.251886 (E_RNA) where: Base-Base interactions energy: -672.263 where: short stacking energy: -305.948 Base-Backbone interact. energy: 0.312 local terms energy: -300.300301 where: bonds (distance) C4'-P energy: -56.578 bonds (distance) P-C4' energy: -60.805 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -43.449 tors. eta vs tors. theta energy: -73.997 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: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -890.006237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.006237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.006237 (E_RNA) where: Base-Base interactions energy: -598.595 where: short stacking energy: -261.130 Base-Backbone interact. energy: -0.519 local terms energy: -290.892443 where: bonds (distance) C4'-P energy: -58.734 bonds (distance) P-C4' energy: -48.862 flat angles C4'-P-C4' energy: -59.312 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -74.062 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: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -844.614744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.614744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.614744 (E_RNA) where: Base-Base interactions energy: -564.485 where: short stacking energy: -266.848 Base-Backbone interact. energy: 3.169 local terms energy: -283.298656 where: bonds (distance) C4'-P energy: -45.950 bonds (distance) P-C4' energy: -56.213 flat angles C4'-P-C4' energy: -53.515 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -73.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -743.978495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.978495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.978495 (E_RNA) where: Base-Base interactions energy: -500.784 where: short stacking energy: -213.565 Base-Backbone interact. energy: -1.797 local terms energy: -241.397252 where: bonds (distance) C4'-P energy: -50.312 bonds (distance) P-C4' energy: -58.394 flat angles C4'-P-C4' energy: -51.910 flat angles P-C4'-P energy: -29.690 tors. eta vs tors. theta energy: -51.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -581.969369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.969369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.969369 (E_RNA) where: Base-Base interactions energy: -345.757 where: short stacking energy: -181.754 Base-Backbone interact. energy: 0.485 local terms energy: -236.697352 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -57.425 flat angles P-C4'-P energy: -28.649 tors. eta vs tors. theta energy: -35.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -519.917976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.917976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.917976 (E_RNA) where: Base-Base interactions energy: -308.504 where: short stacking energy: -152.647 Base-Backbone interact. energy: 0.281 local terms energy: -211.694729 where: bonds (distance) C4'-P energy: -45.181 bonds (distance) P-C4' energy: -57.064 flat angles C4'-P-C4' energy: -60.115 flat angles P-C4'-P energy: -24.280 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: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -578.328332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.328332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.328332 (E_RNA) where: Base-Base interactions energy: -357.817 where: short stacking energy: -156.637 Base-Backbone interact. energy: 4.524 local terms energy: -225.035513 where: bonds (distance) C4'-P energy: -55.321 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -62.721 flat angles P-C4'-P energy: -21.516 tors. eta vs tors. theta energy: -27.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1121.774023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.774023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.774023 (E_RNA) where: Base-Base interactions energy: -766.846 where: short stacking energy: -352.458 Base-Backbone interact. energy: -0.993 local terms energy: -353.935301 where: bonds (distance) C4'-P energy: -54.757 bonds (distance) P-C4' energy: -69.449 flat angles C4'-P-C4' energy: -77.244 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -108.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1078.751657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.751657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.751657 (E_RNA) where: Base-Base interactions energy: -731.008 where: short stacking energy: -329.908 Base-Backbone interact. energy: -0.329 local terms energy: -347.414937 where: bonds (distance) C4'-P energy: -64.222 bonds (distance) P-C4' energy: -68.468 flat angles C4'-P-C4' energy: -69.484 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -95.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1053.997347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.997347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.997347 (E_RNA) where: Base-Base interactions energy: -730.880 where: short stacking energy: -322.803 Base-Backbone interact. energy: -2.360 local terms energy: -320.756838 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -54.480 flat angles C4'-P-C4' energy: -76.946 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -87.120 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: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -993.151549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.151549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.151549 (E_RNA) where: Base-Base interactions energy: -665.930 where: short stacking energy: -305.083 Base-Backbone interact. energy: 1.496 local terms energy: -328.717555 where: bonds (distance) C4'-P energy: -64.040 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -66.486 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: -79.908 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: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -896.110311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.110311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.110311 (E_RNA) where: Base-Base interactions energy: -597.026 where: short stacking energy: -262.850 Base-Backbone interact. energy: -0.907 local terms energy: -298.177208 where: bonds (distance) C4'-P energy: -58.925 bonds (distance) P-C4' energy: -70.884 flat angles C4'-P-C4' energy: -53.716 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -70.126 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -824.423957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.423957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.423957 (E_RNA) where: Base-Base interactions energy: -552.384 where: short stacking energy: -242.830 Base-Backbone interact. energy: -0.903 local terms energy: -271.137840 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -51.695 flat angles C4'-P-C4' energy: -55.751 flat angles P-C4'-P energy: -39.295 tors. eta vs tors. theta energy: -61.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -744.788320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.788320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.788320 (E_RNA) where: Base-Base interactions energy: -478.980 where: short stacking energy: -220.690 Base-Backbone interact. energy: -0.964 local terms energy: -264.845182 where: bonds (distance) C4'-P energy: -60.202 bonds (distance) P-C4' energy: -57.363 flat angles C4'-P-C4' energy: -61.484 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: -51.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -525.182940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.182940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.182940 (E_RNA) where: Base-Base interactions energy: -308.538 where: short stacking energy: -157.446 Base-Backbone interact. energy: 0.067 local terms energy: -216.712526 where: bonds (distance) C4'-P energy: -50.197 bonds (distance) P-C4' energy: -63.454 flat angles C4'-P-C4' energy: -51.851 flat angles P-C4'-P energy: -27.773 tors. eta vs tors. theta energy: -23.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -564.139805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.139805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.139805 (E_RNA) where: Base-Base interactions energy: -343.657 where: short stacking energy: -176.234 Base-Backbone interact. energy: -0.213 local terms energy: -220.269634 where: bonds (distance) C4'-P energy: -41.952 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -50.517 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -44.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -486.394186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.394186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.394186 (E_RNA) where: Base-Base interactions energy: -311.402 where: short stacking energy: -123.956 Base-Backbone interact. energy: 3.529 local terms energy: -178.521143 where: bonds (distance) C4'-P energy: -49.230 bonds (distance) P-C4' energy: -54.210 flat angles C4'-P-C4' energy: -45.906 flat angles P-C4'-P energy: -23.014 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1127.662472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.662472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.662472 (E_RNA) where: Base-Base interactions energy: -778.663 where: short stacking energy: -360.319 Base-Backbone interact. energy: 1.269 local terms energy: -350.268541 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -67.829 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -105.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1054.855564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.855564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.855564 (E_RNA) where: Base-Base interactions energy: -727.038 where: short stacking energy: -325.188 Base-Backbone interact. energy: -0.700 local terms energy: -327.117368 where: bonds (distance) C4'-P energy: -59.930 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -68.688 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: -88.118 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: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1047.888213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.888213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.888213 (E_RNA) where: Base-Base interactions energy: -730.357 where: short stacking energy: -316.488 Base-Backbone interact. energy: -1.042 local terms energy: -316.489204 where: bonds (distance) C4'-P energy: -61.230 bonds (distance) P-C4' energy: -58.784 flat angles C4'-P-C4' energy: -68.982 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -78.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -967.584836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.584836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.584836 (E_RNA) where: Base-Base interactions energy: -646.258 where: short stacking energy: -287.162 Base-Backbone interact. energy: 0.201 local terms energy: -321.527444 where: bonds (distance) C4'-P energy: -63.759 bonds (distance) P-C4' energy: -68.843 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -41.529 tors. eta vs tors. theta energy: -79.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -912.691465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.691465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.691465 (E_RNA) where: Base-Base interactions energy: -629.751 where: short stacking energy: -293.748 Base-Backbone interact. energy: -0.913 local terms energy: -282.026949 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -56.517 flat angles P-C4'-P energy: -37.792 tors. eta vs tors. theta energy: -75.524 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: 48 Temperature: 1.150000 Total energy: -814.087304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.087304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.087304 (E_RNA) where: Base-Base interactions energy: -542.727 where: short stacking energy: -243.253 Base-Backbone interact. energy: -1.281 local terms energy: -270.079791 where: bonds (distance) C4'-P energy: -55.249 bonds (distance) P-C4' energy: -72.805 flat angles C4'-P-C4' energy: -55.967 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: -50.624 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: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -750.073225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.073225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.073225 (E_RNA) where: Base-Base interactions energy: -499.840 where: short stacking energy: -228.206 Base-Backbone interact. energy: -1.201 local terms energy: -249.031807 where: bonds (distance) C4'-P energy: -48.145 bonds (distance) P-C4' energy: -56.193 flat angles C4'-P-C4' energy: -59.835 flat angles P-C4'-P energy: -33.683 tors. eta vs tors. theta energy: -51.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -520.406447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.406447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.406447 (E_RNA) where: Base-Base interactions energy: -293.324 where: short stacking energy: -146.346 Base-Backbone interact. energy: -0.577 local terms energy: -226.505052 where: bonds (distance) C4'-P energy: -53.941 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -52.369 flat angles P-C4'-P energy: -35.745 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: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -511.192418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.192418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.192418 (E_RNA) where: Base-Base interactions energy: -291.233 where: short stacking energy: -128.072 Base-Backbone interact. energy: -0.876 local terms energy: -219.083280 where: bonds (distance) C4'-P energy: -48.607 bonds (distance) P-C4' energy: -68.893 flat angles C4'-P-C4' energy: -46.293 flat angles P-C4'-P energy: -34.400 tors. eta vs tors. theta energy: -20.891 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: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -518.795952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.795952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.795952 (E_RNA) where: Base-Base interactions energy: -301.387 where: short stacking energy: -153.407 Base-Backbone interact. energy: -1.145 local terms energy: -216.264259 where: bonds (distance) C4'-P energy: -65.880 bonds (distance) P-C4' energy: -53.693 flat angles C4'-P-C4' energy: -45.483 flat angles P-C4'-P energy: -22.122 tors. eta vs tors. theta energy: -29.087 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: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1149.926259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.926259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.926259 (E_RNA) where: Base-Base interactions energy: -798.602 where: short stacking energy: -360.876 Base-Backbone interact. energy: 0.717 local terms energy: -352.041663 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -56.928 flat angles C4'-P-C4' energy: -78.217 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -105.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1065.328710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.328710 (E_RNA) where: Base-Base interactions energy: -740.872 where: short stacking energy: -321.527 Base-Backbone interact. energy: -3.097 local terms energy: -321.359557 where: bonds (distance) C4'-P energy: -52.470 bonds (distance) P-C4' energy: -62.351 flat angles C4'-P-C4' energy: -70.537 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -95.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1034.166607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.166607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.166607 (E_RNA) where: Base-Base interactions energy: -723.594 where: short stacking energy: -325.796 Base-Backbone interact. energy: -1.420 local terms energy: -309.153118 where: bonds (distance) C4'-P energy: -61.299 bonds (distance) P-C4' energy: -64.980 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -28.566 tors. eta vs tors. theta energy: -88.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -923.095342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.095342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.095342 (E_RNA) where: Base-Base interactions energy: -620.602 where: short stacking energy: -282.352 Base-Backbone interact. energy: -0.570 local terms energy: -301.923143 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -59.805 flat angles C4'-P-C4' energy: -65.244 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -77.058 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: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -915.738031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.738031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.738031 (E_RNA) where: Base-Base interactions energy: -622.152 where: short stacking energy: -262.760 Base-Backbone interact. energy: -1.970 local terms energy: -291.616187 where: bonds (distance) C4'-P energy: -61.923 bonds (distance) P-C4' energy: -61.020 flat angles C4'-P-C4' energy: -63.839 flat angles P-C4'-P energy: -38.443 tors. eta vs tors. theta energy: -66.391 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: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -780.184317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.184317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.184317 (E_RNA) where: Base-Base interactions energy: -529.548 where: short stacking energy: -239.185 Base-Backbone interact. energy: -0.055 local terms energy: -250.581386 where: bonds (distance) C4'-P energy: -35.616 bonds (distance) P-C4' energy: -57.740 flat angles C4'-P-C4' energy: -61.556 flat angles P-C4'-P energy: -42.131 tors. eta vs tors. theta energy: -53.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -821.214091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.214091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.214091 (E_RNA) where: Base-Base interactions energy: -540.198 where: short stacking energy: -248.160 Base-Backbone interact. energy: -3.030 local terms energy: -277.985760 where: bonds (distance) C4'-P energy: -54.444 bonds (distance) P-C4' energy: -63.782 flat angles C4'-P-C4' energy: -51.078 flat angles P-C4'-P energy: -36.152 tors. eta vs tors. theta energy: -72.529 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: 49 Temperature: 1.250000 Total energy: -520.604104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.604104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.604104 (E_RNA) where: Base-Base interactions energy: -308.865 where: short stacking energy: -152.996 Base-Backbone interact. energy: 0.249 local terms energy: -211.987725 where: bonds (distance) C4'-P energy: -47.285 bonds (distance) P-C4' energy: -60.678 flat angles C4'-P-C4' energy: -49.984 flat angles P-C4'-P energy: -25.979 tors. eta vs tors. theta energy: -28.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -473.309676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.309676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.309676 (E_RNA) where: Base-Base interactions energy: -264.057 where: short stacking energy: -133.758 Base-Backbone interact. energy: -1.335 local terms energy: -207.917764 where: bonds (distance) C4'-P energy: -52.423 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -47.972 flat angles P-C4'-P energy: -30.985 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -506.473371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.473371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.473371 (E_RNA) where: Base-Base interactions energy: -287.369 where: short stacking energy: -149.889 Base-Backbone interact. energy: -1.150 local terms energy: -217.953611 where: bonds (distance) C4'-P energy: -50.048 bonds (distance) P-C4' energy: -51.141 flat angles C4'-P-C4' energy: -55.456 flat angles P-C4'-P energy: -37.471 tors. eta vs tors. theta energy: -23.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1149.003695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.003695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.003695 (E_RNA) where: Base-Base interactions energy: -793.341 where: short stacking energy: -366.436 Base-Backbone interact. energy: -0.234 local terms energy: -355.428593 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -71.124 flat angles C4'-P-C4' energy: -70.977 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: -99.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1062.556905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.556905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.556905 (E_RNA) where: Base-Base interactions energy: -731.977 where: short stacking energy: -330.322 Base-Backbone interact. energy: 0.263 local terms energy: -330.843224 where: bonds (distance) C4'-P energy: -63.937 bonds (distance) P-C4' energy: -59.250 flat angles C4'-P-C4' energy: -57.828 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -97.272 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: 50 Temperature: 1.000000 Total energy: -1034.784792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.784792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.784792 (E_RNA) where: Base-Base interactions energy: -720.304 where: short stacking energy: -315.943 Base-Backbone interact. energy: -1.943 local terms energy: -312.538425 where: bonds (distance) C4'-P energy: -49.599 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -72.687 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -965.832209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.832209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.832209 (E_RNA) where: Base-Base interactions energy: -638.978 where: short stacking energy: -295.455 Base-Backbone interact. energy: -1.110 local terms energy: -325.743496 where: bonds (distance) C4'-P energy: -64.090 bonds (distance) P-C4' energy: -60.010 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -84.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -894.219735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.219735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.219735 (E_RNA) where: Base-Base interactions energy: -603.034 where: short stacking energy: -277.219 Base-Backbone interact. energy: -0.479 local terms energy: -290.706912 where: bonds (distance) C4'-P energy: -59.950 bonds (distance) P-C4' energy: -55.584 flat angles C4'-P-C4' energy: -73.280 flat angles P-C4'-P energy: -28.698 tors. eta vs tors. theta energy: -73.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -823.995381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.995381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.995381 (E_RNA) where: Base-Base interactions energy: -572.926 where: short stacking energy: -248.925 Base-Backbone interact. energy: -0.726 local terms energy: -250.343502 where: bonds (distance) C4'-P energy: -55.458 bonds (distance) P-C4' energy: -50.118 flat angles C4'-P-C4' energy: -47.711 flat angles P-C4'-P energy: -35.680 tors. eta vs tors. theta energy: -61.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -814.229769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.229769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.229769 (E_RNA) where: Base-Base interactions energy: -541.617 where: short stacking energy: -265.216 Base-Backbone interact. energy: -0.074 local terms energy: -272.538771 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -58.564 flat angles C4'-P-C4' energy: -59.555 flat angles P-C4'-P energy: -33.870 tors. eta vs tors. theta energy: -69.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -488.302554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.302554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.302554 (E_RNA) where: Base-Base interactions energy: -277.264 where: short stacking energy: -153.581 Base-Backbone interact. energy: -0.015 local terms energy: -211.023064 where: bonds (distance) C4'-P energy: -54.727 bonds (distance) P-C4' energy: -42.188 flat angles C4'-P-C4' energy: -61.528 flat angles P-C4'-P energy: -25.529 tors. eta vs tors. theta energy: -27.051 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: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -524.033927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.033927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.033927 (E_RNA) where: Base-Base interactions energy: -325.569 where: short stacking energy: -153.778 Base-Backbone interact. energy: 3.557 local terms energy: -202.022056 where: bonds (distance) C4'-P energy: -49.928 bonds (distance) P-C4' energy: -55.542 flat angles C4'-P-C4' energy: -52.249 flat angles P-C4'-P energy: -20.172 tors. eta vs tors. theta energy: -24.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -588.218095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.218095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.218095 (E_RNA) where: Base-Base interactions energy: -370.202 where: short stacking energy: -160.493 Base-Backbone interact. energy: -0.174 local terms energy: -217.841472 where: bonds (distance) C4'-P energy: -64.038 bonds (distance) P-C4' energy: -48.349 flat angles C4'-P-C4' energy: -45.946 flat angles P-C4'-P energy: -36.290 tors. eta vs tors. theta energy: -23.218 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1161.774599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.774599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.774599 (E_RNA) where: Base-Base interactions energy: -792.628 where: short stacking energy: -364.727 Base-Backbone interact. energy: -1.527 local terms energy: -367.620010 where: bonds (distance) C4'-P energy: -65.222 bonds (distance) P-C4' energy: -73.999 flat angles C4'-P-C4' energy: -73.257 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -105.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1089.602903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.602903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.602903 (E_RNA) where: Base-Base interactions energy: -751.044 where: short stacking energy: -360.288 Base-Backbone interact. energy: -0.818 local terms energy: -337.740756 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -72.401 flat angles P-C4'-P energy: -34.423 tors. eta vs tors. theta energy: -105.173 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1050.336650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.336650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.336650 (E_RNA) where: Base-Base interactions energy: -731.912 where: short stacking energy: -314.732 Base-Backbone interact. energy: 0.057 local terms energy: -318.482242 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -67.730 flat angles P-C4'-P energy: -42.885 tors. eta vs tors. theta energy: -79.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -958.183462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.183462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.183462 (E_RNA) where: Base-Base interactions energy: -647.016 where: short stacking energy: -307.992 Base-Backbone interact. energy: 0.646 local terms energy: -311.812948 where: bonds (distance) C4'-P energy: -49.961 bonds (distance) P-C4' energy: -56.944 flat angles C4'-P-C4' energy: -70.454 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: -90.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -944.864792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.864792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.864792 (E_RNA) where: Base-Base interactions energy: -649.295 where: short stacking energy: -284.773 Base-Backbone interact. energy: 0.489 local terms energy: -296.058791 where: bonds (distance) C4'-P energy: -56.079 bonds (distance) P-C4' energy: -61.463 flat angles C4'-P-C4' energy: -59.233 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: -72.998 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: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -810.760698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.760698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.760698 (E_RNA) where: Base-Base interactions energy: -542.459 where: short stacking energy: -232.978 Base-Backbone interact. energy: -1.152 local terms energy: -267.149722 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -61.423 flat angles C4'-P-C4' energy: -52.851 flat angles P-C4'-P energy: -43.677 tors. eta vs tors. theta energy: -58.656 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: 51 Temperature: 1.200000 Total energy: -795.050164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.050164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.050164 (E_RNA) where: Base-Base interactions energy: -536.652 where: short stacking energy: -248.557 Base-Backbone interact. energy: 7.258 local terms energy: -265.655636 where: bonds (distance) C4'-P energy: -48.722 bonds (distance) P-C4' energy: -50.486 flat angles C4'-P-C4' energy: -57.945 flat angles P-C4'-P energy: -48.879 tors. eta vs tors. theta energy: -59.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -571.374453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.374453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.374453 (E_RNA) where: Base-Base interactions energy: -336.436 where: short stacking energy: -173.414 Base-Backbone interact. energy: 0.239 local terms energy: -235.177415 where: bonds (distance) C4'-P energy: -57.558 bonds (distance) P-C4' energy: -56.692 flat angles C4'-P-C4' energy: -54.992 flat angles P-C4'-P energy: -45.926 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: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -505.109788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.109788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.109788 (E_RNA) where: Base-Base interactions energy: -318.403 where: short stacking energy: -153.405 Base-Backbone interact. energy: 0.873 local terms energy: -187.579674 where: bonds (distance) C4'-P energy: -45.959 bonds (distance) P-C4' energy: -51.192 flat angles C4'-P-C4' energy: -40.550 flat angles P-C4'-P energy: -28.320 tors. eta vs tors. theta energy: -21.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -585.438001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.438001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.438001 (E_RNA) where: Base-Base interactions energy: -371.226 where: short stacking energy: -167.031 Base-Backbone interact. energy: 4.140 local terms energy: -218.352280 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -41.062 flat angles P-C4'-P energy: -30.148 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: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1149.429138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.429138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.429138 (E_RNA) where: Base-Base interactions energy: -801.864 where: short stacking energy: -362.502 Base-Backbone interact. energy: -1.759 local terms energy: -345.806537 where: bonds (distance) C4'-P energy: -66.830 bonds (distance) P-C4' energy: -62.566 flat angles C4'-P-C4' energy: -69.337 flat angles P-C4'-P energy: -41.219 tors. eta vs tors. theta energy: -105.854 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: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1052.833919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.833919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.833919 (E_RNA) where: Base-Base interactions energy: -718.784 where: short stacking energy: -333.329 Base-Backbone interact. energy: -0.196 local terms energy: -333.853876 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -74.367 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -100.598 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: 52 Temperature: 1.000000 Total energy: -1021.622238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.622238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.622238 (E_RNA) where: Base-Base interactions energy: -732.260 where: short stacking energy: -310.239 Base-Backbone interact. energy: -0.963 local terms energy: -288.399550 where: bonds (distance) C4'-P energy: -45.547 bonds (distance) P-C4' energy: -54.742 flat angles C4'-P-C4' energy: -70.631 flat angles P-C4'-P energy: -38.889 tors. eta vs tors. theta energy: -78.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -969.917309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.917309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.917309 (E_RNA) where: Base-Base interactions energy: -660.472 where: short stacking energy: -297.798 Base-Backbone interact. energy: 0.769 local terms energy: -310.214076 where: bonds (distance) C4'-P energy: -53.902 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -73.200 flat angles P-C4'-P energy: -32.552 tors. eta vs tors. theta energy: -89.403 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: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -882.117298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.117298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.117298 (E_RNA) where: Base-Base interactions energy: -593.502 where: short stacking energy: -260.187 Base-Backbone interact. energy: -1.724 local terms energy: -286.890833 where: bonds (distance) C4'-P energy: -59.717 bonds (distance) P-C4' energy: -57.486 flat angles C4'-P-C4' energy: -62.958 flat angles P-C4'-P energy: -43.228 tors. eta vs tors. theta energy: -63.502 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: 6, replica: 8 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -878.722426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.722426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.722426 (E_RNA) where: Base-Base interactions energy: -600.576 where: short stacking energy: -261.087 Base-Backbone interact. energy: 2.279 local terms energy: -280.425733 where: bonds (distance) C4'-P energy: -55.066 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -71.900 flat angles P-C4'-P energy: -31.286 tors. eta vs tors. theta energy: -67.315 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: 52 Temperature: 1.200000 Total energy: -782.101558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.101558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.101558 (E_RNA) where: Base-Base interactions energy: -527.504 where: short stacking energy: -244.553 Base-Backbone interact. energy: -0.996 local terms energy: -253.601427 where: bonds (distance) C4'-P energy: -48.310 bonds (distance) P-C4' energy: -51.987 flat angles C4'-P-C4' energy: -60.389 flat angles P-C4'-P energy: -39.994 tors. eta vs tors. theta energy: -52.922 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: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -588.726045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.726045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.726045 (E_RNA) where: Base-Base interactions energy: -370.504 where: short stacking energy: -187.001 Base-Backbone interact. energy: 3.145 local terms energy: -221.367287 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -60.264 flat angles C4'-P-C4' energy: -49.323 flat angles P-C4'-P energy: -35.521 tors. eta vs tors. theta energy: -22.582 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: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -655.561395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.561395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.561395 (E_RNA) where: Base-Base interactions energy: -438.902 where: short stacking energy: -180.576 Base-Backbone interact. energy: 1.685 local terms energy: -218.344263 where: bonds (distance) C4'-P energy: -46.028 bonds (distance) P-C4' energy: -53.188 flat angles C4'-P-C4' energy: -57.759 flat angles P-C4'-P energy: -25.125 tors. eta vs tors. theta energy: -36.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -444.717244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.717244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.717244 (E_RNA) where: Base-Base interactions energy: -242.881 where: short stacking energy: -105.497 Base-Backbone interact. energy: -0.091 local terms energy: -201.745462 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -54.285 flat angles C4'-P-C4' energy: -51.129 flat angles P-C4'-P energy: -25.029 tors. eta vs tors. theta energy: -16.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1144.978635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.978635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.978635 (E_RNA) where: Base-Base interactions energy: -791.414 where: short stacking energy: -348.999 Base-Backbone interact. energy: -0.855 local terms energy: -352.709554 where: bonds (distance) C4'-P energy: -68.419 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -70.977 flat angles P-C4'-P energy: -56.536 tors. eta vs tors. theta energy: -98.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1054.414161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.414161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.414161 (E_RNA) where: Base-Base interactions energy: -735.104 where: short stacking energy: -288.771 Base-Backbone interact. energy: 0.210 local terms energy: -319.520660 where: bonds (distance) C4'-P energy: -59.702 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -75.414 flat angles P-C4'-P energy: -46.215 tors. eta vs tors. theta energy: -78.258 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: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1026.630202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.630202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.630202 (E_RNA) where: Base-Base interactions energy: -713.041 where: short stacking energy: -310.390 Base-Backbone interact. energy: -1.442 local terms energy: -312.146467 where: bonds (distance) C4'-P energy: -67.760 bonds (distance) P-C4' energy: -66.967 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -21.431 tors. eta vs tors. theta energy: -96.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -980.039852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.039852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.039852 (E_RNA) where: Base-Base interactions energy: -646.967 where: short stacking energy: -297.878 Base-Backbone interact. energy: -1.076 local terms energy: -331.997321 where: bonds (distance) C4'-P energy: -58.110 bonds (distance) P-C4' energy: -67.148 flat angles C4'-P-C4' energy: -74.191 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: -85.649 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -891.782252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.782252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.782252 (E_RNA) where: Base-Base interactions energy: -605.006 where: short stacking energy: -263.642 Base-Backbone interact. energy: -0.283 local terms energy: -286.494097 where: bonds (distance) C4'-P energy: -58.988 bonds (distance) P-C4' energy: -63.670 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -37.966 tors. eta vs tors. theta energy: -63.796 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: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -839.856309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.856309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.856309 (E_RNA) where: Base-Base interactions energy: -595.219 where: short stacking energy: -256.585 Base-Backbone interact. energy: -0.947 local terms energy: -243.689860 where: bonds (distance) C4'-P energy: -50.592 bonds (distance) P-C4' energy: -48.849 flat angles C4'-P-C4' energy: -58.691 flat angles P-C4'-P energy: -34.027 tors. eta vs tors. theta energy: -51.531 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: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -781.767564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.767564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.767564 (E_RNA) where: Base-Base interactions energy: -514.477 where: short stacking energy: -243.850 Base-Backbone interact. energy: -0.337 local terms energy: -266.953551 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -53.353 flat angles C4'-P-C4' energy: -55.643 flat angles P-C4'-P energy: -33.165 tors. eta vs tors. theta energy: -62.734 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: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -714.594755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.594755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.594755 (E_RNA) where: Base-Base interactions energy: -489.982 where: short stacking energy: -199.295 Base-Backbone interact. energy: 1.200 local terms energy: -225.813269 where: bonds (distance) C4'-P energy: -47.554 bonds (distance) P-C4' energy: -42.864 flat angles C4'-P-C4' energy: -67.899 flat angles P-C4'-P energy: -34.958 tors. eta vs tors. theta energy: -32.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -552.330552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.330552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.330552 (E_RNA) where: Base-Base interactions energy: -330.006 where: short stacking energy: -158.874 Base-Backbone interact. energy: 0.262 local terms energy: -222.586455 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -59.708 flat angles C4'-P-C4' energy: -53.515 flat angles P-C4'-P energy: -28.928 tors. eta vs tors. theta energy: -27.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -440.418237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.418237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.418237 (E_RNA) where: Base-Base interactions energy: -249.297 where: short stacking energy: -141.149 Base-Backbone interact. energy: 0.116 local terms energy: -191.237191 where: bonds (distance) C4'-P energy: -52.461 bonds (distance) P-C4' energy: -50.077 flat angles C4'-P-C4' energy: -44.276 flat angles P-C4'-P energy: -24.844 tors. eta vs tors. theta energy: -19.579 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: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1162.712035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.712035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.712035 (E_RNA) where: Base-Base interactions energy: -812.105 where: short stacking energy: -355.427 Base-Backbone interact. energy: -0.047 local terms energy: -350.559598 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -59.586 flat angles C4'-P-C4' energy: -75.638 flat angles P-C4'-P energy: -54.657 tors. eta vs tors. theta energy: -103.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1075.852959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.852959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.852959 (E_RNA) where: Base-Base interactions energy: -762.748 where: short stacking energy: -328.548 Base-Backbone interact. energy: -1.447 local terms energy: -311.657925 where: bonds (distance) C4'-P energy: -67.786 bonds (distance) P-C4' energy: -56.914 flat angles C4'-P-C4' energy: -64.213 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -85.040 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: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1037.543938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.543938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.543938 (E_RNA) where: Base-Base interactions energy: -709.645 where: short stacking energy: -322.042 Base-Backbone interact. energy: -1.260 local terms energy: -326.638816 where: bonds (distance) C4'-P energy: -64.727 bonds (distance) P-C4' energy: -64.418 flat angles C4'-P-C4' energy: -67.684 flat angles P-C4'-P energy: -37.628 tors. eta vs tors. theta energy: -92.183 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: 54 Temperature: 1.050000 Total energy: -990.615288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.615288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.615288 (E_RNA) where: Base-Base interactions energy: -672.618 where: short stacking energy: -320.823 Base-Backbone interact. energy: 1.468 local terms energy: -319.465471 where: bonds (distance) C4'-P energy: -57.514 bonds (distance) P-C4' energy: -54.093 flat angles C4'-P-C4' energy: -65.898 flat angles P-C4'-P energy: -42.795 tors. eta vs tors. theta energy: -99.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -920.332901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.332901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.332901 (E_RNA) where: Base-Base interactions energy: -626.873 where: short stacking energy: -261.871 Base-Backbone interact. energy: -2.038 local terms energy: -291.422120 where: bonds (distance) C4'-P energy: -61.571 bonds (distance) P-C4' energy: -61.261 flat angles C4'-P-C4' energy: -64.773 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -69.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -866.537386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.537386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.537386 (E_RNA) where: Base-Base interactions energy: -584.818 where: short stacking energy: -259.198 Base-Backbone interact. energy: -0.607 local terms energy: -281.112960 where: bonds (distance) C4'-P energy: -59.644 bonds (distance) P-C4' energy: -49.979 flat angles C4'-P-C4' energy: -69.359 flat angles P-C4'-P energy: -36.529 tors. eta vs tors. theta energy: -65.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -758.892826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.892826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.892826 (E_RNA) where: Base-Base interactions energy: -513.276 where: short stacking energy: -238.141 Base-Backbone interact. energy: -0.333 local terms energy: -245.283973 where: bonds (distance) C4'-P energy: -50.278 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -55.978 flat angles P-C4'-P energy: -30.160 tors. eta vs tors. theta energy: -46.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -769.274962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.274962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.274962 (E_RNA) where: Base-Base interactions energy: -503.572 where: short stacking energy: -218.589 Base-Backbone interact. energy: -0.603 local terms energy: -265.099699 where: bonds (distance) C4'-P energy: -51.577 bonds (distance) P-C4' energy: -57.455 flat angles C4'-P-C4' energy: -57.116 flat angles P-C4'-P energy: -40.516 tors. eta vs tors. theta energy: -58.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -548.903982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.903982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.903982 (E_RNA) where: Base-Base interactions energy: -311.791 where: short stacking energy: -172.445 Base-Backbone interact. energy: -1.058 local terms energy: -236.055223 where: bonds (distance) C4'-P energy: -51.788 bonds (distance) P-C4' energy: -59.345 flat angles C4'-P-C4' energy: -58.719 flat angles P-C4'-P energy: -35.582 tors. eta vs tors. theta energy: -30.620 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: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -449.696812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.696812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.696812 (E_RNA) where: Base-Base interactions energy: -255.223 where: short stacking energy: -117.699 Base-Backbone interact. energy: -0.917 local terms energy: -193.556210 where: bonds (distance) C4'-P energy: -56.942 bonds (distance) P-C4' energy: -53.227 flat angles C4'-P-C4' energy: -52.653 flat angles P-C4'-P energy: -31.519 tors. eta vs tors. theta energy: 0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1147.525780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.525780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.525780 (E_RNA) where: Base-Base interactions energy: -793.990 where: short stacking energy: -374.771 Base-Backbone interact. energy: -1.380 local terms energy: -352.155851 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -67.099 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: -107.208 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: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1049.713659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.713659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.713659 (E_RNA) where: Base-Base interactions energy: -722.032 where: short stacking energy: -314.173 Base-Backbone interact. energy: -0.646 local terms energy: -327.035094 where: bonds (distance) C4'-P energy: -63.753 bonds (distance) P-C4' energy: -64.548 flat angles C4'-P-C4' energy: -67.687 flat angles P-C4'-P energy: -40.293 tors. eta vs tors. theta energy: -90.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1043.682924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.682924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.682924 (E_RNA) where: Base-Base interactions energy: -719.852 where: short stacking energy: -341.109 Base-Backbone interact. energy: 0.813 local terms energy: -324.643224 where: bonds (distance) C4'-P energy: -58.077 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -66.014 flat angles P-C4'-P energy: -48.579 tors. eta vs tors. theta energy: -89.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -981.605264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.605264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.605264 (E_RNA) where: Base-Base interactions energy: -678.679 where: short stacking energy: -313.784 Base-Backbone interact. energy: -1.327 local terms energy: -301.599850 where: bonds (distance) C4'-P energy: -59.377 bonds (distance) P-C4' energy: -48.761 flat angles C4'-P-C4' energy: -65.349 flat angles P-C4'-P energy: -36.674 tors. eta vs tors. theta energy: -91.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -910.567754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.567754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.567754 (E_RNA) where: Base-Base interactions energy: -629.844 where: short stacking energy: -283.026 Base-Backbone interact. energy: -0.519 local terms energy: -280.204800 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -54.205 flat angles C4'-P-C4' energy: -64.054 flat angles P-C4'-P energy: -36.097 tors. eta vs tors. theta energy: -67.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -776.850575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.850575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.850575 (E_RNA) where: Base-Base interactions energy: -521.055 where: short stacking energy: -230.209 Base-Backbone interact. energy: -1.100 local terms energy: -254.695337 where: bonds (distance) C4'-P energy: -56.597 bonds (distance) P-C4' energy: -62.942 flat angles C4'-P-C4' energy: -62.437 flat angles P-C4'-P energy: -31.843 tors. eta vs tors. theta energy: -40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -879.195002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.195002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.195002 (E_RNA) where: Base-Base interactions energy: -598.281 where: short stacking energy: -262.960 Base-Backbone interact. energy: 0.074 local terms energy: -280.988393 where: bonds (distance) C4'-P energy: -49.052 bonds (distance) P-C4' energy: -58.645 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -41.519 tors. eta vs tors. theta energy: -67.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -738.327291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.327291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.327291 (E_RNA) where: Base-Base interactions energy: -501.621 where: short stacking energy: -218.791 Base-Backbone interact. energy: -1.870 local terms energy: -234.835872 where: bonds (distance) C4'-P energy: -44.583 bonds (distance) P-C4' energy: -58.996 flat angles C4'-P-C4' energy: -50.073 flat angles P-C4'-P energy: -32.153 tors. eta vs tors. theta energy: -49.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -495.537535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.537535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.537535 (E_RNA) where: Base-Base interactions energy: -297.442 where: short stacking energy: -156.594 Base-Backbone interact. energy: 0.571 local terms energy: -198.665933 where: bonds (distance) C4'-P energy: -47.199 bonds (distance) P-C4' energy: -59.920 flat angles C4'-P-C4' energy: -44.431 flat angles P-C4'-P energy: -17.866 tors. eta vs tors. theta energy: -29.250 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: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -459.139466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.139466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.139466 (E_RNA) where: Base-Base interactions energy: -255.552 where: short stacking energy: -114.767 Base-Backbone interact. energy: -0.339 local terms energy: -203.248530 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -57.647 flat angles C4'-P-C4' energy: -44.317 flat angles P-C4'-P energy: -35.661 tors. eta vs tors. theta energy: -7.184 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1144.059010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.059010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.059010 (E_RNA) where: Base-Base interactions energy: -787.392 where: short stacking energy: -351.546 Base-Backbone interact. energy: -1.579 local terms energy: -355.087600 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -69.217 flat angles C4'-P-C4' energy: -71.230 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -106.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1073.466943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.466943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.466943 (E_RNA) where: Base-Base interactions energy: -740.250 where: short stacking energy: -333.855 Base-Backbone interact. energy: -0.842 local terms energy: -332.375273 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -65.390 flat angles C4'-P-C4' energy: -70.690 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -85.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1042.478177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.478177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.478177 (E_RNA) where: Base-Base interactions energy: -723.829 where: short stacking energy: -336.037 Base-Backbone interact. energy: -1.098 local terms energy: -317.550555 where: bonds (distance) C4'-P energy: -51.611 bonds (distance) P-C4' energy: -58.557 flat angles C4'-P-C4' energy: -64.571 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -91.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1004.834361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.834361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.834361 (E_RNA) where: Base-Base interactions energy: -678.172 where: short stacking energy: -310.711 Base-Backbone interact. energy: -0.825 local terms energy: -325.837467 where: bonds (distance) C4'-P energy: -63.312 bonds (distance) P-C4' energy: -65.039 flat angles C4'-P-C4' energy: -62.769 flat angles P-C4'-P energy: -42.528 tors. eta vs tors. theta energy: -92.189 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -922.968920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.968920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.968920 (E_RNA) where: Base-Base interactions energy: -625.887 where: short stacking energy: -289.797 Base-Backbone interact. energy: -0.413 local terms energy: -296.668941 where: bonds (distance) C4'-P energy: -54.052 bonds (distance) P-C4' energy: -64.633 flat angles C4'-P-C4' energy: -61.944 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -69.767 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: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -776.707774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.707774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.707774 (E_RNA) where: Base-Base interactions energy: -506.517 where: short stacking energy: -241.218 Base-Backbone interact. energy: -0.853 local terms energy: -269.337465 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -58.841 flat angles C4'-P-C4' energy: -56.712 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: -56.986 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: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -891.240214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.240214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.240214 (E_RNA) where: Base-Base interactions energy: -605.614 where: short stacking energy: -267.730 Base-Backbone interact. energy: -0.632 local terms energy: -284.994294 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -60.460 flat angles C4'-P-C4' energy: -60.054 flat angles P-C4'-P energy: -34.654 tors. eta vs tors. theta energy: -69.049 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: 56 Temperature: 1.250000 Total energy: -784.505364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.505364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.505364 (E_RNA) where: Base-Base interactions energy: -519.652 where: short stacking energy: -229.973 Base-Backbone interact. energy: -0.907 local terms energy: -263.946666 where: bonds (distance) C4'-P energy: -47.527 bonds (distance) P-C4' energy: -59.499 flat angles C4'-P-C4' energy: -51.627 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: -57.770 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: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -482.602492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.602492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.602492 (E_RNA) where: Base-Base interactions energy: -259.854 where: short stacking energy: -145.778 Base-Backbone interact. energy: -0.956 local terms energy: -221.792797 where: bonds (distance) C4'-P energy: -61.459 bonds (distance) P-C4' energy: -55.838 flat angles C4'-P-C4' energy: -57.951 flat angles P-C4'-P energy: -28.317 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -566.757577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.757577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.757577 (E_RNA) where: Base-Base interactions energy: -371.515 where: short stacking energy: -159.183 Base-Backbone interact. energy: 1.979 local terms energy: -197.221640 where: bonds (distance) C4'-P energy: -41.817 bonds (distance) P-C4' energy: -51.816 flat angles C4'-P-C4' energy: -49.096 flat angles P-C4'-P energy: -36.373 tors. eta vs tors. theta energy: -18.121 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: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1145.350820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.350820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.350820 (E_RNA) where: Base-Base interactions energy: -791.092 where: short stacking energy: -378.637 Base-Backbone interact. energy: -1.544 local terms energy: -352.714908 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -55.725 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: -105.215 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: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1052.530211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.530211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.530211 (E_RNA) where: Base-Base interactions energy: -716.812 where: short stacking energy: -324.229 Base-Backbone interact. energy: 0.082 local terms energy: -335.800015 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -68.794 flat angles C4'-P-C4' energy: -68.694 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -85.019 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: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1024.336963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.336963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.336963 (E_RNA) where: Base-Base interactions energy: -695.590 where: short stacking energy: -283.892 Base-Backbone interact. energy: 0.279 local terms energy: -329.025874 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -69.309 flat angles C4'-P-C4' energy: -76.440 flat angles P-C4'-P energy: -41.808 tors. eta vs tors. theta energy: -78.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1017.773424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.773424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.773424 (E_RNA) where: Base-Base interactions energy: -689.883 where: short stacking energy: -303.338 Base-Backbone interact. energy: -1.666 local terms energy: -326.224257 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -58.935 flat angles C4'-P-C4' energy: -72.662 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -98.110 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: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -902.804764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.804764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.804764 (E_RNA) where: Base-Base interactions energy: -621.985 where: short stacking energy: -263.363 Base-Backbone interact. energy: -1.751 local terms energy: -279.068612 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -47.043 flat angles C4'-P-C4' energy: -70.269 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -63.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -910.144373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.144373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.144373 (E_RNA) where: Base-Base interactions energy: -617.264 where: short stacking energy: -286.382 Base-Backbone interact. energy: -0.054 local terms energy: -292.825930 where: bonds (distance) C4'-P energy: -53.152 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -66.126 flat angles P-C4'-P energy: -41.032 tors. eta vs tors. theta energy: -71.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -774.764563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.764563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.764563 (E_RNA) where: Base-Base interactions energy: -484.699 where: short stacking energy: -227.631 Base-Backbone interact. energy: -0.732 local terms energy: -289.333024 where: bonds (distance) C4'-P energy: -61.208 bonds (distance) P-C4' energy: -66.960 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -53.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -761.861982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.861982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.861982 (E_RNA) where: Base-Base interactions energy: -505.944 where: short stacking energy: -222.476 Base-Backbone interact. energy: 0.188 local terms energy: -256.106371 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -61.506 flat angles P-C4'-P energy: -30.485 tors. eta vs tors. theta energy: -54.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -493.909157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.909157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.909157 (E_RNA) where: Base-Base interactions energy: -283.030 where: short stacking energy: -155.006 Base-Backbone interact. energy: -0.793 local terms energy: -210.086122 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -51.410 flat angles C4'-P-C4' energy: -39.953 flat angles P-C4'-P energy: -31.449 tors. eta vs tors. theta energy: -27.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -573.218920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.218920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.218920 (E_RNA) where: Base-Base interactions energy: -372.526 where: short stacking energy: -193.243 Base-Backbone interact. energy: -1.762 local terms energy: -198.930621 where: bonds (distance) C4'-P energy: -40.496 bonds (distance) P-C4' energy: -43.939 flat angles C4'-P-C4' energy: -38.907 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: -37.100 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: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1140.322801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.322801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.322801 (E_RNA) where: Base-Base interactions energy: -778.361 where: short stacking energy: -353.504 Base-Backbone interact. energy: -1.092 local terms energy: -360.870335 where: bonds (distance) C4'-P energy: -57.439 bonds (distance) P-C4' energy: -72.751 flat angles C4'-P-C4' energy: -71.360 flat angles P-C4'-P energy: -49.285 tors. eta vs tors. theta energy: -110.036 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: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1052.974519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.974519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.974519 (E_RNA) where: Base-Base interactions energy: -719.935 where: short stacking energy: -327.277 Base-Backbone interact. energy: -2.178 local terms energy: -330.860833 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -59.652 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -53.576 tors. eta vs tors. theta energy: -88.839 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: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1040.000231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.000231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.000231 (E_RNA) where: Base-Base interactions energy: -706.577 where: short stacking energy: -330.039 Base-Backbone interact. energy: -1.589 local terms energy: -331.834197 where: bonds (distance) C4'-P energy: -61.567 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -75.637 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -89.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1009.724114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.724114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.724114 (E_RNA) where: Base-Base interactions energy: -701.540 where: short stacking energy: -320.207 Base-Backbone interact. energy: -1.295 local terms energy: -306.889284 where: bonds (distance) C4'-P energy: -54.814 bonds (distance) P-C4' energy: -51.969 flat angles C4'-P-C4' energy: -67.916 flat angles P-C4'-P energy: -38.796 tors. eta vs tors. theta energy: -93.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -910.780674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.780674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.780674 (E_RNA) where: Base-Base interactions energy: -618.300 where: short stacking energy: -272.403 Base-Backbone interact. energy: 2.104 local terms energy: -294.584059 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -54.186 flat angles C4'-P-C4' energy: -70.307 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -66.276 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: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -833.256054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.256054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.256054 (E_RNA) where: Base-Base interactions energy: -572.472 where: short stacking energy: -255.244 Base-Backbone interact. energy: -0.638 local terms energy: -260.146439 where: bonds (distance) C4'-P energy: -49.162 bonds (distance) P-C4' energy: -59.095 flat angles C4'-P-C4' energy: -52.196 flat angles P-C4'-P energy: -43.040 tors. eta vs tors. theta energy: -56.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -816.334279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.334279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.334279 (E_RNA) where: Base-Base interactions energy: -541.809 where: short stacking energy: -241.123 Base-Backbone interact. energy: -1.325 local terms energy: -273.200276 where: bonds (distance) C4'-P energy: -52.221 bonds (distance) P-C4' energy: -55.346 flat angles C4'-P-C4' energy: -64.295 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: -63.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -686.080142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.080142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.080142 (E_RNA) where: Base-Base interactions energy: -446.880 where: short stacking energy: -199.683 Base-Backbone interact. energy: 0.376 local terms energy: -239.576187 where: bonds (distance) C4'-P energy: -59.104 bonds (distance) P-C4' energy: -59.777 flat angles C4'-P-C4' energy: -41.364 flat angles P-C4'-P energy: -29.252 tors. eta vs tors. theta energy: -50.080 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: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -583.018593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.018593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.018593 (E_RNA) where: Base-Base interactions energy: -349.142 where: short stacking energy: -172.632 Base-Backbone interact. energy: 0.961 local terms energy: -234.837595 where: bonds (distance) C4'-P energy: -51.331 bonds (distance) P-C4' energy: -59.355 flat angles C4'-P-C4' energy: -55.986 flat angles P-C4'-P energy: -31.965 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: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -425.514979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.514979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.514979 (E_RNA) where: Base-Base interactions energy: -247.618 where: short stacking energy: -134.590 Base-Backbone interact. energy: 2.607 local terms energy: -180.504091 where: bonds (distance) C4'-P energy: -62.921 bonds (distance) P-C4' energy: -48.114 flat angles C4'-P-C4' energy: -35.044 flat angles P-C4'-P energy: -29.853 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1128.102016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.102016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.102016 (E_RNA) where: Base-Base interactions energy: -766.472 where: short stacking energy: -359.443 Base-Backbone interact. energy: -0.466 local terms energy: -361.163568 where: bonds (distance) C4'-P energy: -58.526 bonds (distance) P-C4' energy: -60.195 flat angles C4'-P-C4' energy: -82.050 flat angles P-C4'-P energy: -55.815 tors. eta vs tors. theta energy: -104.577 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: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1054.439956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.439956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.439956 (E_RNA) where: Base-Base interactions energy: -709.100 where: short stacking energy: -347.756 Base-Backbone interact. energy: -1.765 local terms energy: -343.575070 where: bonds (distance) C4'-P energy: -58.763 bonds (distance) P-C4' energy: -67.677 flat angles C4'-P-C4' energy: -70.142 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -97.550 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: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1020.612723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.612723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.612723 (E_RNA) where: Base-Base interactions energy: -714.469 where: short stacking energy: -315.310 Base-Backbone interact. energy: -0.333 local terms energy: -305.810968 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -61.366 flat angles C4'-P-C4' energy: -68.115 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -79.306 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: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -997.035889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.035889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.035889 (E_RNA) where: Base-Base interactions energy: -694.624 where: short stacking energy: -302.326 Base-Backbone interact. energy: 2.008 local terms energy: -304.419265 where: bonds (distance) C4'-P energy: -48.676 bonds (distance) P-C4' energy: -56.060 flat angles C4'-P-C4' energy: -68.440 flat angles P-C4'-P energy: -41.881 tors. eta vs tors. theta energy: -89.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -915.970400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.970400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.970400 (E_RNA) where: Base-Base interactions energy: -629.712 where: short stacking energy: -276.234 Base-Backbone interact. energy: -0.568 local terms energy: -285.690171 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -59.613 flat angles C4'-P-C4' energy: -63.800 flat angles P-C4'-P energy: -41.005 tors. eta vs tors. theta energy: -67.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -884.643778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.643778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.643778 (E_RNA) where: Base-Base interactions energy: -603.470 where: short stacking energy: -270.546 Base-Backbone interact. energy: -1.654 local terms energy: -279.519644 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -51.653 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: -62.237 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: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -814.802455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.802455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.802455 (E_RNA) where: Base-Base interactions energy: -536.134 where: short stacking energy: -242.912 Base-Backbone interact. energy: 0.910 local terms energy: -279.578844 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -61.107 flat angles C4'-P-C4' energy: -61.101 flat angles P-C4'-P energy: -40.154 tors. eta vs tors. theta energy: -65.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -689.973879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.973879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.973879 (E_RNA) where: Base-Base interactions energy: -428.163 where: short stacking energy: -205.934 Base-Backbone interact. energy: -1.080 local terms energy: -260.730724 where: bonds (distance) C4'-P energy: -41.076 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -61.437 flat angles P-C4'-P energy: -31.911 tors. eta vs tors. theta energy: -56.623 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: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -623.493347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.493347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.493347 (E_RNA) where: Base-Base interactions energy: -399.198 where: short stacking energy: -178.707 Base-Backbone interact. energy: -0.143 local terms energy: -224.152698 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -51.525 flat angles C4'-P-C4' energy: -62.314 flat angles P-C4'-P energy: -27.752 tors. eta vs tors. theta energy: -29.226 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: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -420.667133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.667133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.667133 (E_RNA) where: Base-Base interactions energy: -243.400 where: short stacking energy: -120.243 Base-Backbone interact. energy: -2.190 local terms energy: -175.077522 where: bonds (distance) C4'-P energy: -51.168 bonds (distance) P-C4' energy: -56.828 flat angles C4'-P-C4' energy: -36.907 flat angles P-C4'-P energy: -22.428 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1154.836911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.836911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.836911 (E_RNA) where: Base-Base interactions energy: -798.093 where: short stacking energy: -350.514 Base-Backbone interact. energy: 0.098 local terms energy: -356.841632 where: bonds (distance) C4'-P energy: -64.359 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -77.910 flat angles P-C4'-P energy: -50.704 tors. eta vs tors. theta energy: -101.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1064.064513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.064513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.064513 (E_RNA) where: Base-Base interactions energy: -709.558 where: short stacking energy: -336.830 Base-Backbone interact. energy: -0.213 local terms energy: -354.293852 where: bonds (distance) C4'-P energy: -67.023 bonds (distance) P-C4' energy: -73.759 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -94.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1010.142355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.142355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.142355 (E_RNA) where: Base-Base interactions energy: -694.957 where: short stacking energy: -318.891 Base-Backbone interact. energy: -0.228 local terms energy: -314.957295 where: bonds (distance) C4'-P energy: -58.613 bonds (distance) P-C4' energy: -51.738 flat angles C4'-P-C4' energy: -75.617 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -87.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -988.862528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.862528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.862528 (E_RNA) where: Base-Base interactions energy: -692.672 where: short stacking energy: -299.116 Base-Backbone interact. energy: 4.153 local terms energy: -300.343956 where: bonds (distance) C4'-P energy: -60.534 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -63.175 flat angles P-C4'-P energy: -31.798 tors. eta vs tors. theta energy: -78.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -903.335867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.335867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.335867 (E_RNA) where: Base-Base interactions energy: -623.080 where: short stacking energy: -289.986 Base-Backbone interact. energy: -0.731 local terms energy: -279.524948 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -55.999 flat angles C4'-P-C4' energy: -60.087 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: -64.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -880.894518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.894518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.894518 (E_RNA) where: Base-Base interactions energy: -607.577 where: short stacking energy: -245.463 Base-Backbone interact. energy: -0.858 local terms energy: -272.459903 where: bonds (distance) C4'-P energy: -54.537 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -35.868 tors. eta vs tors. theta energy: -60.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -797.534855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.534855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.534855 (E_RNA) where: Base-Base interactions energy: -549.080 where: short stacking energy: -239.796 Base-Backbone interact. energy: -0.928 local terms energy: -247.526331 where: bonds (distance) C4'-P energy: -38.212 bonds (distance) P-C4' energy: -60.640 flat angles C4'-P-C4' energy: -63.701 flat angles P-C4'-P energy: -31.689 tors. eta vs tors. theta energy: -53.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -665.775699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.775699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.775699 (E_RNA) where: Base-Base interactions energy: -432.156 where: short stacking energy: -201.659 Base-Backbone interact. energy: 3.768 local terms energy: -237.387982 where: bonds (distance) C4'-P energy: -48.871 bonds (distance) P-C4' energy: -45.005 flat angles C4'-P-C4' energy: -65.615 flat angles P-C4'-P energy: -30.049 tors. eta vs tors. theta energy: -47.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -620.075395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.075395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.075395 (E_RNA) where: Base-Base interactions energy: -397.168 where: short stacking energy: -181.155 Base-Backbone interact. energy: -1.682 local terms energy: -221.225677 where: bonds (distance) C4'-P energy: -49.414 bonds (distance) P-C4' energy: -43.883 flat angles C4'-P-C4' energy: -65.328 flat angles P-C4'-P energy: -33.442 tors. eta vs tors. theta energy: -29.158 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: 60 Temperature: 1.350000 Total energy: -413.081358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.081358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.081358 (E_RNA) where: Base-Base interactions energy: -237.353 where: short stacking energy: -110.747 Base-Backbone interact. energy: -2.023 local terms energy: -173.705109 where: bonds (distance) C4'-P energy: -55.946 bonds (distance) P-C4' energy: -46.080 flat angles C4'-P-C4' energy: -43.574 flat angles P-C4'-P energy: -22.925 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1147.643343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.643343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.643343 (E_RNA) where: Base-Base interactions energy: -805.508 where: short stacking energy: -344.398 Base-Backbone interact. energy: -1.033 local terms energy: -341.102093 where: bonds (distance) C4'-P energy: -54.260 bonds (distance) P-C4' energy: -68.770 flat angles C4'-P-C4' energy: -71.762 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: -95.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1062.048105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.048105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.048105 (E_RNA) where: Base-Base interactions energy: -738.466 where: short stacking energy: -318.467 Base-Backbone interact. energy: -0.854 local terms energy: -322.727912 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -68.253 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -89.155 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: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1021.031661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.031661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.031661 (E_RNA) where: Base-Base interactions energy: -722.046 where: short stacking energy: -339.763 Base-Backbone interact. energy: -1.274 local terms energy: -297.711841 where: bonds (distance) C4'-P energy: -48.182 bonds (distance) P-C4' energy: -65.938 flat angles C4'-P-C4' energy: -63.340 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -85.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -987.324062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.324062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.324062 (E_RNA) where: Base-Base interactions energy: -689.627 where: short stacking energy: -285.483 Base-Backbone interact. energy: 1.071 local terms energy: -298.768175 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -56.455 flat angles C4'-P-C4' energy: -69.630 flat angles P-C4'-P energy: -37.086 tors. eta vs tors. theta energy: -73.614 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: 61 Temperature: 1.100000 Total energy: -901.197619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.197619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.197619 (E_RNA) where: Base-Base interactions energy: -624.294 where: short stacking energy: -274.734 Base-Backbone interact. energy: -1.154 local terms energy: -275.749289 where: bonds (distance) C4'-P energy: -49.283 bonds (distance) P-C4' energy: -48.534 flat angles C4'-P-C4' energy: -62.024 flat angles P-C4'-P energy: -42.534 tors. eta vs tors. theta energy: -73.374 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: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -878.164033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.164033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.164033 (E_RNA) where: Base-Base interactions energy: -602.821 where: short stacking energy: -275.951 Base-Backbone interact. energy: -0.990 local terms energy: -274.352636 where: bonds (distance) C4'-P energy: -57.024 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -54.668 flat angles P-C4'-P energy: -28.870 tors. eta vs tors. theta energy: -71.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -785.352150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.352150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.352150 (E_RNA) where: Base-Base interactions energy: -509.115 where: short stacking energy: -221.665 Base-Backbone interact. energy: -1.231 local terms energy: -275.006280 where: bonds (distance) C4'-P energy: -46.255 bonds (distance) P-C4' energy: -65.733 flat angles C4'-P-C4' energy: -63.843 flat angles P-C4'-P energy: -43.737 tors. eta vs tors. theta energy: -55.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -657.821295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.821295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.821295 (E_RNA) where: Base-Base interactions energy: -422.654 where: short stacking energy: -183.488 Base-Backbone interact. energy: 0.020 local terms energy: -235.187559 where: bonds (distance) C4'-P energy: -43.203 bonds (distance) P-C4' energy: -54.213 flat angles C4'-P-C4' energy: -52.476 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -43.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -585.857844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.857844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.857844 (E_RNA) where: Base-Base interactions energy: -393.625 where: short stacking energy: -166.581 Base-Backbone interact. energy: 1.606 local terms energy: -193.838925 where: bonds (distance) C4'-P energy: -37.577 bonds (distance) P-C4' energy: -51.797 flat angles C4'-P-C4' energy: -60.092 flat angles P-C4'-P energy: -26.156 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: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -454.427422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.427422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.427422 (E_RNA) where: Base-Base interactions energy: -270.672 where: short stacking energy: -148.287 Base-Backbone interact. energy: -1.886 local terms energy: -181.869143 where: bonds (distance) C4'-P energy: -43.785 bonds (distance) P-C4' energy: -51.539 flat angles C4'-P-C4' energy: -46.076 flat angles P-C4'-P energy: -27.260 tors. eta vs tors. theta energy: -13.209 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: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1141.839987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.839987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.839987 (E_RNA) where: Base-Base interactions energy: -790.823 where: short stacking energy: -346.618 Base-Backbone interact. energy: -1.116 local terms energy: -349.900655 where: bonds (distance) C4'-P energy: -57.647 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -78.625 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -100.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1061.536727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.536727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.536727 (E_RNA) where: Base-Base interactions energy: -742.846 where: short stacking energy: -326.103 Base-Backbone interact. energy: -1.709 local terms energy: -316.981556 where: bonds (distance) C4'-P energy: -57.409 bonds (distance) P-C4' energy: -60.921 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -45.545 tors. eta vs tors. theta energy: -88.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1033.703436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.703436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.703436 (E_RNA) where: Base-Base interactions energy: -716.081 where: short stacking energy: -317.869 Base-Backbone interact. energy: -1.015 local terms energy: -316.607465 where: bonds (distance) C4'-P energy: -60.704 bonds (distance) P-C4' energy: -65.858 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -42.773 tors. eta vs tors. theta energy: -78.131 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: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1012.083443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.083443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.083443 (E_RNA) where: Base-Base interactions energy: -699.760 where: short stacking energy: -326.879 Base-Backbone interact. energy: -0.820 local terms energy: -311.503414 where: bonds (distance) C4'-P energy: -49.658 bonds (distance) P-C4' energy: -59.876 flat angles C4'-P-C4' energy: -73.671 flat angles P-C4'-P energy: -40.967 tors. eta vs tors. theta energy: -87.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -945.030334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.030334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.030334 (E_RNA) where: Base-Base interactions energy: -657.358 where: short stacking energy: -294.426 Base-Backbone interact. energy: 0.897 local terms energy: -288.569851 where: bonds (distance) C4'-P energy: -64.905 bonds (distance) P-C4' energy: -52.264 flat angles C4'-P-C4' energy: -63.653 flat angles P-C4'-P energy: -39.321 tors. eta vs tors. theta energy: -68.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -854.052331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.052331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.052331 (E_RNA) where: Base-Base interactions energy: -591.397 where: short stacking energy: -265.915 Base-Backbone interact. energy: 0.186 local terms energy: -262.841138 where: bonds (distance) C4'-P energy: -45.977 bonds (distance) P-C4' energy: -56.583 flat angles C4'-P-C4' energy: -70.136 flat angles P-C4'-P energy: -24.918 tors. eta vs tors. theta energy: -65.227 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: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -771.562843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.562843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.562843 (E_RNA) where: Base-Base interactions energy: -515.849 where: short stacking energy: -227.337 Base-Backbone interact. energy: -1.039 local terms energy: -254.675220 where: bonds (distance) C4'-P energy: -48.121 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -59.328 flat angles P-C4'-P energy: -40.922 tors. eta vs tors. theta energy: -46.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -671.744591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.744591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.744591 (E_RNA) where: Base-Base interactions energy: -432.437 where: short stacking energy: -195.987 Base-Backbone interact. energy: 0.269 local terms energy: -239.576998 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -54.970 flat angles P-C4'-P energy: -29.290 tors. eta vs tors. theta energy: -44.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -577.175260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.175260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.175260 (E_RNA) where: Base-Base interactions energy: -354.549 where: short stacking energy: -164.101 Base-Backbone interact. energy: -1.675 local terms energy: -220.951376 where: bonds (distance) C4'-P energy: -47.981 bonds (distance) P-C4' energy: -63.115 flat angles C4'-P-C4' energy: -59.750 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: -17.803 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: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -515.739835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.739835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.739835 (E_RNA) where: Base-Base interactions energy: -320.071 where: short stacking energy: -140.538 Base-Backbone interact. energy: 0.846 local terms energy: -196.514891 where: bonds (distance) C4'-P energy: -55.557 bonds (distance) P-C4' energy: -47.034 flat angles C4'-P-C4' energy: -42.406 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -10.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1150.984768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.984768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.984768 (E_RNA) where: Base-Base interactions energy: -792.342 where: short stacking energy: -360.366 Base-Backbone interact. energy: 0.113 local terms energy: -358.756054 where: bonds (distance) C4'-P energy: -68.226 bonds (distance) P-C4' energy: -65.789 flat angles C4'-P-C4' energy: -76.056 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -101.622 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: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1049.968547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.968547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.968547 (E_RNA) where: Base-Base interactions energy: -718.155 where: short stacking energy: -323.716 Base-Backbone interact. energy: -0.017 local terms energy: -331.796169 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -66.242 flat angles C4'-P-C4' energy: -68.418 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -91.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1014.271318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.271318 (E_RNA) where: Base-Base interactions energy: -710.546 where: short stacking energy: -301.531 Base-Backbone interact. energy: -1.415 local terms energy: -302.311074 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -69.028 flat angles P-C4'-P energy: -30.406 tors. eta vs tors. theta energy: -83.120 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: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -980.175935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.175935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.175935 (E_RNA) where: Base-Base interactions energy: -662.314 where: short stacking energy: -288.130 Base-Backbone interact. energy: -2.093 local terms energy: -315.768508 where: bonds (distance) C4'-P energy: -57.659 bonds (distance) P-C4' energy: -69.069 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -35.370 tors. eta vs tors. theta energy: -81.257 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: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -918.567091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.567091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.567091 (E_RNA) where: Base-Base interactions energy: -629.818 where: short stacking energy: -278.341 Base-Backbone interact. energy: -0.157 local terms energy: -288.592192 where: bonds (distance) C4'-P energy: -51.700 bonds (distance) P-C4' energy: -52.559 flat angles C4'-P-C4' energy: -68.832 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: -69.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -869.340177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.340177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.340177 (E_RNA) where: Base-Base interactions energy: -592.133 where: short stacking energy: -257.125 Base-Backbone interact. energy: -0.109 local terms energy: -277.098565 where: bonds (distance) C4'-P energy: -57.520 bonds (distance) P-C4' energy: -55.169 flat angles C4'-P-C4' energy: -67.546 flat angles P-C4'-P energy: -32.288 tors. eta vs tors. theta energy: -64.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -746.140249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.140249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.140249 (E_RNA) where: Base-Base interactions energy: -484.422 where: short stacking energy: -231.968 Base-Backbone interact. energy: -0.957 local terms energy: -260.761242 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -50.754 flat angles P-C4'-P energy: -39.597 tors. eta vs tors. theta energy: -53.461 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: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -627.568162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.568162 (E_RNA) where: Base-Base interactions energy: -392.066 where: short stacking energy: -189.656 Base-Backbone interact. energy: -1.879 local terms energy: -233.623299 where: bonds (distance) C4'-P energy: -64.095 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -50.980 flat angles P-C4'-P energy: -20.545 tors. eta vs tors. theta energy: -36.446 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: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -548.797966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.797966 (E_RNA) where: Base-Base interactions energy: -335.305 where: short stacking energy: -159.606 Base-Backbone interact. energy: 1.475 local terms energy: -214.967696 where: bonds (distance) C4'-P energy: -44.465 bonds (distance) P-C4' energy: -53.268 flat angles C4'-P-C4' energy: -49.661 flat angles P-C4'-P energy: -37.063 tors. eta vs tors. theta energy: -30.512 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: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -459.401227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.401227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.401227 (E_RNA) where: Base-Base interactions energy: -247.835 where: short stacking energy: -112.949 Base-Backbone interact. energy: -1.230 local terms energy: -210.336309 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -57.778 flat angles C4'-P-C4' energy: -57.506 flat angles P-C4'-P energy: -29.763 tors. eta vs tors. theta energy: -13.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1138.350859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.350859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.350859 (E_RNA) where: Base-Base interactions energy: -786.083 where: short stacking energy: -354.039 Base-Backbone interact. energy: -1.436 local terms energy: -350.831994 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -68.799 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -48.156 tors. eta vs tors. theta energy: -98.702 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: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1052.188922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.188922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.188922 (E_RNA) where: Base-Base interactions energy: -734.989 where: short stacking energy: -329.084 Base-Backbone interact. energy: 0.947 local terms energy: -318.146637 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -53.676 flat angles C4'-P-C4' energy: -61.450 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -91.825 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: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1019.620075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.620075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.620075 (E_RNA) where: Base-Base interactions energy: -699.201 where: short stacking energy: -300.095 Base-Backbone interact. energy: -0.730 local terms energy: -319.688902 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -56.149 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -87.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -962.491783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.491783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.491783 (E_RNA) where: Base-Base interactions energy: -645.651 where: short stacking energy: -299.919 Base-Backbone interact. energy: -0.559 local terms energy: -316.281733 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -60.244 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -86.504 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: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -939.521269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.521269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.521269 (E_RNA) where: Base-Base interactions energy: -624.404 where: short stacking energy: -289.734 Base-Backbone interact. energy: -2.855 local terms energy: -312.262080 where: bonds (distance) C4'-P energy: -66.653 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -66.340 flat angles P-C4'-P energy: -37.631 tors. eta vs tors. theta energy: -81.934 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: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -875.368147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.368147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.368147 (E_RNA) where: Base-Base interactions energy: -589.986 where: short stacking energy: -259.928 Base-Backbone interact. energy: -0.529 local terms energy: -284.853077 where: bonds (distance) C4'-P energy: -57.119 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -62.966 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -61.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -751.609082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.609082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.609082 (E_RNA) where: Base-Base interactions energy: -500.810 where: short stacking energy: -210.900 Base-Backbone interact. energy: 1.992 local terms energy: -252.791798 where: bonds (distance) C4'-P energy: -46.581 bonds (distance) P-C4' energy: -47.876 flat angles C4'-P-C4' energy: -60.842 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -49.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -604.627321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.627321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.627321 (E_RNA) where: Base-Base interactions energy: -367.635 where: short stacking energy: -180.104 Base-Backbone interact. energy: 0.125 local terms energy: -237.118003 where: bonds (distance) C4'-P energy: -51.318 bonds (distance) P-C4' energy: -61.581 flat angles C4'-P-C4' energy: -46.736 flat angles P-C4'-P energy: -41.590 tors. eta vs tors. theta energy: -35.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -571.149981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.149981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.149981 (E_RNA) where: Base-Base interactions energy: -362.147 where: short stacking energy: -159.589 Base-Backbone interact. energy: 1.938 local terms energy: -210.941266 where: bonds (distance) C4'-P energy: -45.195 bonds (distance) P-C4' energy: -58.017 flat angles C4'-P-C4' energy: -56.612 flat angles P-C4'-P energy: -31.704 tors. eta vs tors. theta energy: -19.414 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: 64 Temperature: 1.350000 Total energy: -448.001937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.001937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.001937 (E_RNA) where: Base-Base interactions energy: -265.396 where: short stacking energy: -135.710 Base-Backbone interact. energy: -0.002 local terms energy: -182.603840 where: bonds (distance) C4'-P energy: -41.732 bonds (distance) P-C4' energy: -50.786 flat angles C4'-P-C4' energy: -49.568 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1129.380077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.380077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.380077 (E_RNA) where: Base-Base interactions energy: -771.795 where: short stacking energy: -342.404 Base-Backbone interact. energy: -1.931 local terms energy: -355.653914 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -66.218 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -102.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1059.654657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.654657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.654657 (E_RNA) where: Base-Base interactions energy: -733.348 where: short stacking energy: -314.489 Base-Backbone interact. energy: -0.459 local terms energy: -325.847516 where: bonds (distance) C4'-P energy: -61.867 bonds (distance) P-C4' energy: -68.554 flat angles C4'-P-C4' energy: -68.989 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -87.231 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: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1046.374319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.374319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.374319 (E_RNA) where: Base-Base interactions energy: -723.589 where: short stacking energy: -318.731 Base-Backbone interact. energy: 0.557 local terms energy: -323.342358 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -78.122 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -82.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -999.911917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.911917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.911917 (E_RNA) where: Base-Base interactions energy: -704.545 where: short stacking energy: -301.894 Base-Backbone interact. energy: -0.866 local terms energy: -294.500709 where: bonds (distance) C4'-P energy: -56.013 bonds (distance) P-C4' energy: -57.476 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -42.887 tors. eta vs tors. theta energy: -73.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -898.727334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.727334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.727334 (E_RNA) where: Base-Base interactions energy: -613.797 where: short stacking energy: -273.878 Base-Backbone interact. energy: -1.891 local terms energy: -283.039164 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -60.270 flat angles C4'-P-C4' energy: -57.300 flat angles P-C4'-P energy: -35.125 tors. eta vs tors. theta energy: -71.471 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: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -909.700595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.700595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.700595 (E_RNA) where: Base-Base interactions energy: -625.656 where: short stacking energy: -286.176 Base-Backbone interact. energy: -3.363 local terms energy: -280.682418 where: bonds (distance) C4'-P energy: -43.077 bonds (distance) P-C4' energy: -61.804 flat angles C4'-P-C4' energy: -62.186 flat angles P-C4'-P energy: -38.465 tors. eta vs tors. theta energy: -75.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -765.290352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.290352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.290352 (E_RNA) where: Base-Base interactions energy: -507.897 where: short stacking energy: -231.230 Base-Backbone interact. energy: 0.239 local terms energy: -257.631951 where: bonds (distance) C4'-P energy: -57.377 bonds (distance) P-C4' energy: -51.922 flat angles C4'-P-C4' energy: -59.629 flat angles P-C4'-P energy: -34.833 tors. eta vs tors. theta energy: -53.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -626.896670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.896670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.896670 (E_RNA) where: Base-Base interactions energy: -381.611 where: short stacking energy: -195.103 Base-Backbone interact. energy: -1.216 local terms energy: -244.069149 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -50.109 flat angles C4'-P-C4' energy: -60.303 flat angles P-C4'-P energy: -32.667 tors. eta vs tors. theta energy: -42.150 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: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -599.047091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.047091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.047091 (E_RNA) where: Base-Base interactions energy: -378.422 where: short stacking energy: -159.169 Base-Backbone interact. energy: 3.536 local terms energy: -224.161223 where: bonds (distance) C4'-P energy: -49.232 bonds (distance) P-C4' energy: -51.249 flat angles C4'-P-C4' energy: -61.299 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: -25.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -438.354324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.354324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.354324 (E_RNA) where: Base-Base interactions energy: -264.305 where: short stacking energy: -137.219 Base-Backbone interact. energy: -2.114 local terms energy: -171.935276 where: bonds (distance) C4'-P energy: -53.575 bonds (distance) P-C4' energy: -48.589 flat angles C4'-P-C4' energy: -38.631 flat angles P-C4'-P energy: -19.571 tors. eta vs tors. theta energy: -11.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1119.396137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.396137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.396137 (E_RNA) where: Base-Base interactions energy: -773.788 where: short stacking energy: -335.124 Base-Backbone interact. energy: 0.759 local terms energy: -346.367495 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -70.553 flat angles C4'-P-C4' energy: -70.004 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -91.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1052.344300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.344300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.344300 (E_RNA) where: Base-Base interactions energy: -727.976 where: short stacking energy: -313.717 Base-Backbone interact. energy: -1.663 local terms energy: -322.704447 where: bonds (distance) C4'-P energy: -61.569 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -65.787 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -91.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1039.028012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.028012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.028012 (E_RNA) where: Base-Base interactions energy: -735.324 where: short stacking energy: -318.373 Base-Backbone interact. energy: 4.160 local terms energy: -307.864459 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -54.024 flat angles C4'-P-C4' energy: -60.687 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -80.191 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: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -994.199041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.199041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.199041 (E_RNA) where: Base-Base interactions energy: -679.561 where: short stacking energy: -307.291 Base-Backbone interact. energy: -0.157 local terms energy: -314.481786 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -53.350 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -55.386 tors. eta vs tors. theta energy: -85.035 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: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -924.828684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.828684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.828684 (E_RNA) where: Base-Base interactions energy: -626.415 where: short stacking energy: -274.885 Base-Backbone interact. energy: -0.593 local terms energy: -297.820796 where: bonds (distance) C4'-P energy: -62.816 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -69.467 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: 66 Temperature: 1.150000 Total energy: -903.914674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.914674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.914674 (E_RNA) where: Base-Base interactions energy: -602.994 where: short stacking energy: -248.668 Base-Backbone interact. energy: -1.088 local terms energy: -299.832839 where: bonds (distance) C4'-P energy: -56.602 bonds (distance) P-C4' energy: -64.896 flat angles C4'-P-C4' energy: -72.035 flat angles P-C4'-P energy: -44.541 tors. eta vs tors. theta energy: -61.759 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: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -733.454147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.454147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.454147 (E_RNA) where: Base-Base interactions energy: -471.868 where: short stacking energy: -228.483 Base-Backbone interact. energy: -0.706 local terms energy: -260.880215 where: bonds (distance) C4'-P energy: -51.377 bonds (distance) P-C4' energy: -50.841 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -45.154 tors. eta vs tors. theta energy: -49.885 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: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -630.974206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.974206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.974206 (E_RNA) where: Base-Base interactions energy: -386.606 where: short stacking energy: -198.604 Base-Backbone interact. energy: -1.115 local terms energy: -243.253678 where: bonds (distance) C4'-P energy: -52.836 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -53.014 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -34.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -640.933739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.933739 (E_RNA) where: Base-Base interactions energy: -410.988 where: short stacking energy: -187.521 Base-Backbone interact. energy: 0.846 local terms energy: -230.791206 where: bonds (distance) C4'-P energy: -41.210 bonds (distance) P-C4' energy: -54.857 flat angles C4'-P-C4' energy: -55.009 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -45.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -429.992433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.992433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.992433 (E_RNA) where: Base-Base interactions energy: -264.627 where: short stacking energy: -146.438 Base-Backbone interact. energy: -0.713 local terms energy: -164.652160 where: bonds (distance) C4'-P energy: -36.206 bonds (distance) P-C4' energy: -50.354 flat angles C4'-P-C4' energy: -36.757 flat angles P-C4'-P energy: -30.186 tors. eta vs tors. theta energy: -11.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1132.794324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.794324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.794324 (E_RNA) where: Base-Base interactions energy: -791.450 where: short stacking energy: -328.843 Base-Backbone interact. energy: -1.932 local terms energy: -339.412351 where: bonds (distance) C4'-P energy: -58.072 bonds (distance) P-C4' energy: -65.729 flat angles C4'-P-C4' energy: -73.399 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -96.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1074.543963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.543963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.543963 (E_RNA) where: Base-Base interactions energy: -753.643 where: short stacking energy: -315.261 Base-Backbone interact. energy: -0.063 local terms energy: -320.838534 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -69.666 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -72.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1019.796146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.796146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.796146 (E_RNA) where: Base-Base interactions energy: -699.275 where: short stacking energy: -318.053 Base-Backbone interact. energy: -1.815 local terms energy: -318.705465 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -53.298 flat angles C4'-P-C4' energy: -72.642 flat angles P-C4'-P energy: -49.974 tors. eta vs tors. theta energy: -86.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -978.229845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.229845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.229845 (E_RNA) where: Base-Base interactions energy: -675.540 where: short stacking energy: -295.020 Base-Backbone interact. energy: -0.309 local terms energy: -302.380855 where: bonds (distance) C4'-P energy: -50.042 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -41.058 tors. eta vs tors. theta energy: -85.478 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -975.354688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.354688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.354688 (E_RNA) where: Base-Base interactions energy: -669.711 where: short stacking energy: -295.724 Base-Backbone interact. energy: -1.694 local terms energy: -303.950203 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -62.733 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -70.344 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: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -916.623042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.623042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.623042 (E_RNA) where: Base-Base interactions energy: -619.799 where: short stacking energy: -289.303 Base-Backbone interact. energy: 0.025 local terms energy: -296.848828 where: bonds (distance) C4'-P energy: -52.750 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -83.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -744.820806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.820806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.820806 (E_RNA) where: Base-Base interactions energy: -493.801 where: short stacking energy: -239.386 Base-Backbone interact. energy: -0.803 local terms energy: -250.216928 where: bonds (distance) C4'-P energy: -44.012 bonds (distance) P-C4' energy: -61.674 flat angles C4'-P-C4' energy: -60.921 flat angles P-C4'-P energy: -32.816 tors. eta vs tors. theta energy: -50.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -613.992728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.992728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.992728 (E_RNA) where: Base-Base interactions energy: -394.716 where: short stacking energy: -191.583 Base-Backbone interact. energy: 4.131 local terms energy: -223.408259 where: bonds (distance) C4'-P energy: -57.196 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -42.951 flat angles P-C4'-P energy: -27.816 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: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -604.118131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.118131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.118131 (E_RNA) where: Base-Base interactions energy: -370.579 where: short stacking energy: -176.198 Base-Backbone interact. energy: -0.736 local terms energy: -232.803085 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -57.027 flat angles C4'-P-C4' energy: -46.989 flat angles P-C4'-P energy: -27.404 tors. eta vs tors. theta energy: -38.839 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: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -486.323161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.323161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.323161 (E_RNA) where: Base-Base interactions energy: -283.194 where: short stacking energy: -124.556 Base-Backbone interact. energy: -1.227 local terms energy: -201.902892 where: bonds (distance) C4'-P energy: -52.171 bonds (distance) P-C4' energy: -55.674 flat angles C4'-P-C4' energy: -51.226 flat angles P-C4'-P energy: -28.487 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: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1135.375881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.375881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.375881 (E_RNA) where: Base-Base interactions energy: -773.655 where: short stacking energy: -347.295 Base-Backbone interact. energy: -0.749 local terms energy: -360.972082 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -78.505 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -101.830 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: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1066.807876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.807876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.807876 (E_RNA) where: Base-Base interactions energy: -743.773 where: short stacking energy: -326.009 Base-Backbone interact. energy: -0.893 local terms energy: -322.142330 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -58.603 flat angles C4'-P-C4' energy: -74.002 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -89.094 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: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1028.690779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.690779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.690779 (E_RNA) where: Base-Base interactions energy: -717.556 where: short stacking energy: -338.402 Base-Backbone interact. energy: -1.632 local terms energy: -309.502733 where: bonds (distance) C4'-P energy: -56.941 bonds (distance) P-C4' energy: -67.242 flat angles C4'-P-C4' energy: -61.582 flat angles P-C4'-P energy: -32.404 tors. eta vs tors. theta energy: -91.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -957.424114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.424114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.424114 (E_RNA) where: Base-Base interactions energy: -650.386 where: short stacking energy: -293.137 Base-Backbone interact. energy: -0.779 local terms energy: -306.259683 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -58.231 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: -78.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -935.233118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.233118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.233118 (E_RNA) where: Base-Base interactions energy: -631.959 where: short stacking energy: -291.213 Base-Backbone interact. energy: -0.955 local terms energy: -302.319084 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -62.785 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -44.330 tors. eta vs tors. theta energy: -74.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -908.673089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.673089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.673089 (E_RNA) where: Base-Base interactions energy: -625.510 where: short stacking energy: -269.234 Base-Backbone interact. energy: 0.747 local terms energy: -283.910127 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -57.171 flat angles C4'-P-C4' energy: -66.101 flat angles P-C4'-P energy: -33.980 tors. eta vs tors. theta energy: -67.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -737.460723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.460723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.460723 (E_RNA) where: Base-Base interactions energy: -466.304 where: short stacking energy: -208.875 Base-Backbone interact. energy: -0.372 local terms energy: -270.784821 where: bonds (distance) C4'-P energy: -65.018 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -65.155 flat angles P-C4'-P energy: -40.915 tors. eta vs tors. theta energy: -38.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -563.484015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.484015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.484015 (E_RNA) where: Base-Base interactions energy: -377.499 where: short stacking energy: -159.599 Base-Backbone interact. energy: 3.740 local terms energy: -189.725344 where: bonds (distance) C4'-P energy: -42.152 bonds (distance) P-C4' energy: -47.971 flat angles C4'-P-C4' energy: -41.691 flat angles P-C4'-P energy: -33.413 tors. eta vs tors. theta energy: -24.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -515.673358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.673358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.673358 (E_RNA) where: Base-Base interactions energy: -301.221 where: short stacking energy: -165.109 Base-Backbone interact. energy: -0.071 local terms energy: -214.381211 where: bonds (distance) C4'-P energy: -34.377 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -67.150 flat angles P-C4'-P energy: -31.099 tors. eta vs tors. theta energy: -27.195 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: 68 Temperature: 1.350000 Total energy: -539.038151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.038151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.038151 (E_RNA) where: Base-Base interactions energy: -344.296 where: short stacking energy: -158.875 Base-Backbone interact. energy: 9.604 local terms energy: -204.346285 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -42.075 flat angles C4'-P-C4' energy: -52.903 flat angles P-C4'-P energy: -29.547 tors. eta vs tors. theta energy: -26.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1142.219421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.219421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.219421 (E_RNA) where: Base-Base interactions energy: -784.405 where: short stacking energy: -350.140 Base-Backbone interact. energy: -1.526 local terms energy: -356.288444 where: bonds (distance) C4'-P energy: -65.812 bonds (distance) P-C4' energy: -66.792 flat angles C4'-P-C4' energy: -69.933 flat angles P-C4'-P energy: -50.376 tors. eta vs tors. theta energy: -103.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1080.761475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.761475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.761475 (E_RNA) where: Base-Base interactions energy: -768.145 where: short stacking energy: -332.148 Base-Backbone interact. energy: -1.119 local terms energy: -311.497222 where: bonds (distance) C4'-P energy: -62.904 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -62.215 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -85.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1022.545111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.545111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.545111 (E_RNA) where: Base-Base interactions energy: -709.757 where: short stacking energy: -317.798 Base-Backbone interact. energy: -1.109 local terms energy: -311.678332 where: bonds (distance) C4'-P energy: -52.424 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -60.784 flat angles P-C4'-P energy: -48.678 tors. eta vs tors. theta energy: -88.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -968.401517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.401517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.401517 (E_RNA) where: Base-Base interactions energy: -671.241 where: short stacking energy: -292.527 Base-Backbone interact. energy: -0.686 local terms energy: -296.474481 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -50.875 flat angles C4'-P-C4' energy: -67.511 flat angles P-C4'-P energy: -36.705 tors. eta vs tors. theta energy: -84.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -915.759321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.759321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.759321 (E_RNA) where: Base-Base interactions energy: -638.480 where: short stacking energy: -283.814 Base-Backbone interact. energy: 1.078 local terms energy: -278.357554 where: bonds (distance) C4'-P energy: -56.802 bonds (distance) P-C4' energy: -58.774 flat angles C4'-P-C4' energy: -56.482 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -67.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -916.639468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.639468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.639468 (E_RNA) where: Base-Base interactions energy: -636.001 where: short stacking energy: -280.677 Base-Backbone interact. energy: 0.705 local terms energy: -281.343534 where: bonds (distance) C4'-P energy: -48.635 bonds (distance) P-C4' energy: -60.302 flat angles C4'-P-C4' energy: -64.472 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -68.974 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -757.793088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.793088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.793088 (E_RNA) where: Base-Base interactions energy: -505.201 where: short stacking energy: -234.874 Base-Backbone interact. energy: 1.221 local terms energy: -253.812917 where: bonds (distance) C4'-P energy: -41.782 bonds (distance) P-C4' energy: -66.697 flat angles C4'-P-C4' energy: -61.518 flat angles P-C4'-P energy: -31.749 tors. eta vs tors. theta energy: -52.066 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: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -532.852472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.852472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.852472 (E_RNA) where: Base-Base interactions energy: -321.768 where: short stacking energy: -186.222 Base-Backbone interact. energy: 3.399 local terms energy: -214.484109 where: bonds (distance) C4'-P energy: -45.488 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -55.346 flat angles P-C4'-P energy: -25.919 tors. eta vs tors. theta energy: -23.922 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: 69 Temperature: 1.300000 Total energy: -534.999861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.999861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.999861 (E_RNA) where: Base-Base interactions energy: -329.128 where: short stacking energy: -165.822 Base-Backbone interact. energy: 0.790 local terms energy: -206.661914 where: bonds (distance) C4'-P energy: -40.916 bonds (distance) P-C4' energy: -53.978 flat angles C4'-P-C4' energy: -59.781 flat angles P-C4'-P energy: -26.943 tors. eta vs tors. theta energy: -25.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -507.788348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.788348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.788348 (E_RNA) where: Base-Base interactions energy: -328.904 where: short stacking energy: -147.355 Base-Backbone interact. energy: -0.253 local terms energy: -178.631819 where: bonds (distance) C4'-P energy: -53.996 bonds (distance) P-C4' energy: -49.454 flat angles C4'-P-C4' energy: -45.683 flat angles P-C4'-P energy: -17.049 tors. eta vs tors. theta energy: -12.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1134.876131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.876131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.876131 (E_RNA) where: Base-Base interactions energy: -772.320 where: short stacking energy: -334.304 Base-Backbone interact. energy: 1.124 local terms energy: -363.679955 where: bonds (distance) C4'-P energy: -66.111 bonds (distance) P-C4' energy: -70.832 flat angles C4'-P-C4' energy: -75.561 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -95.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1071.053212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.053212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.053212 (E_RNA) where: Base-Base interactions energy: -753.279 where: short stacking energy: -307.361 Base-Backbone interact. energy: -3.261 local terms energy: -314.513197 where: bonds (distance) C4'-P energy: -57.399 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -66.621 flat angles P-C4'-P energy: -38.896 tors. eta vs tors. theta energy: -87.327 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: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1013.390325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.390325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.390325 (E_RNA) where: Base-Base interactions energy: -679.424 where: short stacking energy: -312.208 Base-Backbone interact. energy: -1.601 local terms energy: -332.365131 where: bonds (distance) C4'-P energy: -60.157 bonds (distance) P-C4' energy: -74.005 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: -90.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1010.225576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.225576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.225576 (E_RNA) where: Base-Base interactions energy: -680.898 where: short stacking energy: -306.096 Base-Backbone interact. energy: -1.660 local terms energy: -327.667171 where: bonds (distance) C4'-P energy: -58.642 bonds (distance) P-C4' energy: -56.829 flat angles C4'-P-C4' energy: -73.921 flat angles P-C4'-P energy: -50.260 tors. eta vs tors. theta energy: -88.016 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: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -913.049666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.049666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.049666 (E_RNA) where: Base-Base interactions energy: -603.963 where: short stacking energy: -271.233 Base-Backbone interact. energy: -1.179 local terms energy: -307.907138 where: bonds (distance) C4'-P energy: -54.684 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -63.258 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -77.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -912.452696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.452696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.452696 (E_RNA) where: Base-Base interactions energy: -631.011 where: short stacking energy: -279.289 Base-Backbone interact. energy: 0.563 local terms energy: -282.004751 where: bonds (distance) C4'-P energy: -54.056 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -64.251 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -67.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -759.491416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.491416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.491416 (E_RNA) where: Base-Base interactions energy: -482.566 where: short stacking energy: -232.063 Base-Backbone interact. energy: -2.023 local terms energy: -274.902521 where: bonds (distance) C4'-P energy: -53.766 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -66.875 flat angles P-C4'-P energy: -43.200 tors. eta vs tors. theta energy: -54.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -561.626850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.626850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.626850 (E_RNA) where: Base-Base interactions energy: -337.932 where: short stacking energy: -190.489 Base-Backbone interact. energy: 0.630 local terms energy: -224.325002 where: bonds (distance) C4'-P energy: -58.643 bonds (distance) P-C4' energy: -53.793 flat angles C4'-P-C4' energy: -49.506 flat angles P-C4'-P energy: -28.426 tors. eta vs tors. theta energy: -33.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -521.121527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.121527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.121527 (E_RNA) where: Base-Base interactions energy: -319.928 where: short stacking energy: -145.827 Base-Backbone interact. energy: -1.515 local terms energy: -199.677898 where: bonds (distance) C4'-P energy: -46.547 bonds (distance) P-C4' energy: -43.387 flat angles C4'-P-C4' energy: -58.413 flat angles P-C4'-P energy: -32.588 tors. eta vs tors. theta energy: -18.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -466.410846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.410846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.410846 (E_RNA) where: Base-Base interactions energy: -281.052 where: short stacking energy: -139.523 Base-Backbone interact. energy: 0.051 local terms energy: -185.409457 where: bonds (distance) C4'-P energy: -53.680 bonds (distance) P-C4' energy: -46.872 flat angles C4'-P-C4' energy: -46.647 flat angles P-C4'-P energy: -29.311 tors. eta vs tors. theta energy: -8.900 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: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1128.396701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.396701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.396701 (E_RNA) where: Base-Base interactions energy: -777.364 where: short stacking energy: -337.541 Base-Backbone interact. energy: -1.067 local terms energy: -349.965652 where: bonds (distance) C4'-P energy: -65.296 bonds (distance) P-C4' energy: -57.361 flat angles C4'-P-C4' energy: -76.353 flat angles P-C4'-P energy: -49.130 tors. eta vs tors. theta energy: -101.826 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: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1062.905761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.905761 (E_RNA) where: Base-Base interactions energy: -753.026 where: short stacking energy: -332.754 Base-Backbone interact. energy: -1.298 local terms energy: -308.581120 where: bonds (distance) C4'-P energy: -51.831 bonds (distance) P-C4' energy: -52.851 flat angles C4'-P-C4' energy: -74.669 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -82.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -983.190080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.190080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.190080 (E_RNA) where: Base-Base interactions energy: -682.221 where: short stacking energy: -305.752 Base-Backbone interact. energy: -1.838 local terms energy: -299.131245 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -61.813 flat angles P-C4'-P energy: -42.702 tors. eta vs tors. theta energy: -74.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -961.553562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.553562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.553562 (E_RNA) where: Base-Base interactions energy: -652.023 where: short stacking energy: -296.320 Base-Backbone interact. energy: -1.368 local terms energy: -308.162641 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -43.167 tors. eta vs tors. theta energy: -75.670 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: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -966.014859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.014859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.014859 (E_RNA) where: Base-Base interactions energy: -686.190 where: short stacking energy: -319.970 Base-Backbone interact. energy: 1.082 local terms energy: -280.907375 where: bonds (distance) C4'-P energy: -51.657 bonds (distance) P-C4' energy: -48.497 flat angles C4'-P-C4' energy: -65.457 flat angles P-C4'-P energy: -33.257 tors. eta vs tors. theta energy: -82.040 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: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -914.911303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.911303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.911303 (E_RNA) where: Base-Base interactions energy: -620.550 where: short stacking energy: -270.594 Base-Backbone interact. energy: -1.009 local terms energy: -293.352267 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -55.629 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -35.465 tors. eta vs tors. theta energy: -73.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -722.933951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.933951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.933951 (E_RNA) where: Base-Base interactions energy: -476.948 where: short stacking energy: -211.498 Base-Backbone interact. energy: -2.678 local terms energy: -243.307945 where: bonds (distance) C4'-P energy: -44.390 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -54.411 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -51.055 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: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -566.125465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.125465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.125465 (E_RNA) where: Base-Base interactions energy: -320.711 where: short stacking energy: -170.267 Base-Backbone interact. energy: -0.127 local terms energy: -245.287039 where: bonds (distance) C4'-P energy: -54.643 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -56.755 flat angles P-C4'-P energy: -36.963 tors. eta vs tors. theta energy: -40.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -520.327762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.327762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.327762 (E_RNA) where: Base-Base interactions energy: -305.865 where: short stacking energy: -146.265 Base-Backbone interact. energy: 0.232 local terms energy: -214.695312 where: bonds (distance) C4'-P energy: -49.863 bonds (distance) P-C4' energy: -64.899 flat angles C4'-P-C4' energy: -51.624 flat angles P-C4'-P energy: -22.707 tors. eta vs tors. theta energy: -25.602 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: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -460.732393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.732393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.732393 (E_RNA) where: Base-Base interactions energy: -277.773 where: short stacking energy: -128.624 Base-Backbone interact. energy: -0.789 local terms energy: -182.170891 where: bonds (distance) C4'-P energy: -62.898 bonds (distance) P-C4' energy: -43.234 flat angles C4'-P-C4' energy: -54.949 flat angles P-C4'-P energy: -26.395 tors. eta vs tors. theta energy: 5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1133.062655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.062655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.062655 (E_RNA) where: Base-Base interactions energy: -795.754 where: short stacking energy: -349.112 Base-Backbone interact. energy: -0.602 local terms energy: -336.706631 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -59.438 flat angles C4'-P-C4' energy: -65.102 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -104.699 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: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1036.036771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.036771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.036771 (E_RNA) where: Base-Base interactions energy: -713.982 where: short stacking energy: -321.957 Base-Backbone interact. energy: -1.222 local terms energy: -320.832190 where: bonds (distance) C4'-P energy: -62.819 bonds (distance) P-C4' energy: -53.171 flat angles C4'-P-C4' energy: -71.313 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -89.511 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: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -982.267980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.267980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.267980 (E_RNA) where: Base-Base interactions energy: -674.757 where: short stacking energy: -304.510 Base-Backbone interact. energy: -0.055 local terms energy: -307.455919 where: bonds (distance) C4'-P energy: -53.241 bonds (distance) P-C4' energy: -59.814 flat angles C4'-P-C4' energy: -76.823 flat angles P-C4'-P energy: -40.491 tors. eta vs tors. theta energy: -77.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -945.969245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.969245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.969245 (E_RNA) where: Base-Base interactions energy: -639.445 where: short stacking energy: -288.540 Base-Backbone interact. energy: -0.443 local terms energy: -306.080617 where: bonds (distance) C4'-P energy: -56.381 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -73.818 flat angles P-C4'-P energy: -40.475 tors. eta vs tors. theta energy: -70.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -962.235003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.235003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.235003 (E_RNA) where: Base-Base interactions energy: -662.352 where: short stacking energy: -296.435 Base-Backbone interact. energy: 0.116 local terms energy: -299.998825 where: bonds (distance) C4'-P energy: -57.007 bonds (distance) P-C4' energy: -56.088 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -39.525 tors. eta vs tors. theta energy: -78.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -922.669220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.669220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.669220 (E_RNA) where: Base-Base interactions energy: -637.923 where: short stacking energy: -267.443 Base-Backbone interact. energy: 4.398 local terms energy: -289.144805 where: bonds (distance) C4'-P energy: -52.998 bonds (distance) P-C4' energy: -66.693 flat angles C4'-P-C4' energy: -58.202 flat angles P-C4'-P energy: -46.873 tors. eta vs tors. theta energy: -64.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -731.112632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.112632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.112632 (E_RNA) where: Base-Base interactions energy: -480.660 where: short stacking energy: -212.828 Base-Backbone interact. energy: -0.478 local terms energy: -249.974610 where: bonds (distance) C4'-P energy: -45.299 bonds (distance) P-C4' energy: -54.704 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -33.077 tors. eta vs tors. theta energy: -47.851 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: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -539.306422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.306422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.306422 (E_RNA) where: Base-Base interactions energy: -330.983 where: short stacking energy: -168.821 Base-Backbone interact. energy: -1.840 local terms energy: -206.483192 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -47.484 flat angles C4'-P-C4' energy: -42.204 flat angles P-C4'-P energy: -20.076 tors. eta vs tors. theta energy: -40.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -555.679932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.679932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.679932 (E_RNA) where: Base-Base interactions energy: -339.320 where: short stacking energy: -156.761 Base-Backbone interact. energy: 0.578 local terms energy: -216.937237 where: bonds (distance) C4'-P energy: -45.218 bonds (distance) P-C4' energy: -68.093 flat angles C4'-P-C4' energy: -46.903 flat angles P-C4'-P energy: -35.399 tors. eta vs tors. theta energy: -21.323 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: 72 Temperature: 1.350000 Total energy: -472.127830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.127830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.127830 (E_RNA) where: Base-Base interactions energy: -258.314 where: short stacking energy: -133.542 Base-Backbone interact. energy: 4.090 local terms energy: -217.903479 where: bonds (distance) C4'-P energy: -47.901 bonds (distance) P-C4' energy: -58.231 flat angles C4'-P-C4' energy: -63.280 flat angles P-C4'-P energy: -27.879 tors. eta vs tors. theta energy: -20.613 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: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1121.586184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.586184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.586184 (E_RNA) where: Base-Base interactions energy: -767.008 where: short stacking energy: -348.930 Base-Backbone interact. energy: -1.912 local terms energy: -352.666290 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -72.199 flat angles C4'-P-C4' energy: -75.391 flat angles P-C4'-P energy: -46.002 tors. eta vs tors. theta energy: -102.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1026.065333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.065333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.065333 (E_RNA) where: Base-Base interactions energy: -709.590 where: short stacking energy: -333.541 Base-Backbone interact. energy: -2.196 local terms energy: -314.279129 where: bonds (distance) C4'-P energy: -56.168 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -68.144 flat angles P-C4'-P energy: -44.991 tors. eta vs tors. theta energy: -83.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -992.389897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.389897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.389897 (E_RNA) where: Base-Base interactions energy: -672.024 where: short stacking energy: -293.499 Base-Backbone interact. energy: 4.787 local terms energy: -325.152829 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -70.049 flat angles P-C4'-P energy: -51.726 tors. eta vs tors. theta energy: -83.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1006.118163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.118163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.118163 (E_RNA) where: Base-Base interactions energy: -703.926 where: short stacking energy: -309.243 Base-Backbone interact. energy: -0.763 local terms energy: -301.429499 where: bonds (distance) C4'-P energy: -55.009 bonds (distance) P-C4' energy: -59.276 flat angles C4'-P-C4' energy: -66.573 flat angles P-C4'-P energy: -39.034 tors. eta vs tors. theta energy: -81.538 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: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -964.799968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.799968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.799968 (E_RNA) where: Base-Base interactions energy: -651.680 where: short stacking energy: -277.512 Base-Backbone interact. energy: 0.609 local terms energy: -313.729563 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -54.979 flat angles C4'-P-C4' energy: -72.900 flat angles P-C4'-P energy: -49.259 tors. eta vs tors. theta energy: -75.700 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: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -919.823644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.823644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.823644 (E_RNA) where: Base-Base interactions energy: -645.735 where: short stacking energy: -279.037 Base-Backbone interact. energy: -0.121 local terms energy: -273.967900 where: bonds (distance) C4'-P energy: -48.836 bonds (distance) P-C4' energy: -48.694 flat angles C4'-P-C4' energy: -65.028 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -67.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -743.447293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.447293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.447293 (E_RNA) where: Base-Base interactions energy: -472.172 where: short stacking energy: -233.212 Base-Backbone interact. energy: 0.072 local terms energy: -271.346712 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -58.592 flat angles C4'-P-C4' energy: -64.063 flat angles P-C4'-P energy: -36.834 tors. eta vs tors. theta energy: -58.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -539.827066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.827066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.827066 (E_RNA) where: Base-Base interactions energy: -308.789 where: short stacking energy: -149.701 Base-Backbone interact. energy: -0.270 local terms energy: -230.767784 where: bonds (distance) C4'-P energy: -62.218 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -54.725 flat angles P-C4'-P energy: -25.937 tors. eta vs tors. theta energy: -28.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -631.400463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.400463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.400463 (E_RNA) where: Base-Base interactions energy: -429.600 where: short stacking energy: -199.714 Base-Backbone interact. energy: -0.884 local terms energy: -200.916366 where: bonds (distance) C4'-P energy: -51.494 bonds (distance) P-C4' energy: -37.640 flat angles C4'-P-C4' energy: -44.828 flat angles P-C4'-P energy: -24.824 tors. eta vs tors. theta energy: -42.130 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: 73 Temperature: 1.350000 Total energy: -465.417511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.417511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.417511 (E_RNA) where: Base-Base interactions energy: -268.980 where: short stacking energy: -135.408 Base-Backbone interact. energy: -1.120 local terms energy: -195.317934 where: bonds (distance) C4'-P energy: -47.694 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -43.742 flat angles P-C4'-P energy: -27.002 tors. eta vs tors. theta energy: -17.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1149.260473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.260473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.260473 (E_RNA) where: Base-Base interactions energy: -805.311 where: short stacking energy: -354.422 Base-Backbone interact. energy: 3.684 local terms energy: -347.634226 where: bonds (distance) C4'-P energy: -58.200 bonds (distance) P-C4' energy: -69.390 flat angles C4'-P-C4' energy: -75.013 flat angles P-C4'-P energy: -44.452 tors. eta vs tors. theta energy: -100.579 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: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1037.915444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.915444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.915444 (E_RNA) where: Base-Base interactions energy: -714.269 where: short stacking energy: -326.595 Base-Backbone interact. energy: -2.309 local terms energy: -321.336806 where: bonds (distance) C4'-P energy: -73.500 bonds (distance) P-C4' energy: -51.572 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -82.122 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: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -998.522435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.522435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.522435 (E_RNA) where: Base-Base interactions energy: -690.039 where: short stacking energy: -305.832 Base-Backbone interact. energy: -1.219 local terms energy: -307.264781 where: bonds (distance) C4'-P energy: -56.589 bonds (distance) P-C4' energy: -50.328 flat angles C4'-P-C4' energy: -66.734 flat angles P-C4'-P energy: -48.856 tors. eta vs tors. theta energy: -84.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -985.074628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.074628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.074628 (E_RNA) where: Base-Base interactions energy: -678.768 where: short stacking energy: -302.906 Base-Backbone interact. energy: -0.780 local terms energy: -305.526820 where: bonds (distance) C4'-P energy: -59.306 bonds (distance) P-C4' energy: -65.757 flat angles C4'-P-C4' energy: -65.367 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -78.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -976.366693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.366693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.366693 (E_RNA) where: Base-Base interactions energy: -664.332 where: short stacking energy: -295.819 Base-Backbone interact. energy: -1.444 local terms energy: -310.590755 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -66.949 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: -78.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -922.545640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.545640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.545640 (E_RNA) where: Base-Base interactions energy: -647.249 where: short stacking energy: -279.902 Base-Backbone interact. energy: -1.009 local terms energy: -274.287418 where: bonds (distance) C4'-P energy: -52.163 bonds (distance) P-C4' energy: -57.006 flat angles C4'-P-C4' energy: -62.572 flat angles P-C4'-P energy: -39.679 tors. eta vs tors. theta energy: -62.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -815.800283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.800283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.800283 (E_RNA) where: Base-Base interactions energy: -536.951 where: short stacking energy: -239.678 Base-Backbone interact. energy: -1.152 local terms energy: -277.696713 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -60.131 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -49.884 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -552.441424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.441424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.441424 (E_RNA) where: Base-Base interactions energy: -346.358 where: short stacking energy: -185.450 Base-Backbone interact. energy: -0.456 local terms energy: -205.627829 where: bonds (distance) C4'-P energy: -49.101 bonds (distance) P-C4' energy: -45.816 flat angles C4'-P-C4' energy: -38.643 flat angles P-C4'-P energy: -35.390 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: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -606.237864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.237864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.237864 (E_RNA) where: Base-Base interactions energy: -397.109 where: short stacking energy: -190.181 Base-Backbone interact. energy: -1.090 local terms energy: -208.038402 where: bonds (distance) C4'-P energy: -40.975 bonds (distance) P-C4' energy: -48.062 flat angles C4'-P-C4' energy: -44.563 flat angles P-C4'-P energy: -44.472 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: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -475.914751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.914751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.914751 (E_RNA) where: Base-Base interactions energy: -284.434 where: short stacking energy: -152.470 Base-Backbone interact. energy: 4.129 local terms energy: -195.609928 where: bonds (distance) C4'-P energy: -51.944 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -42.754 flat angles P-C4'-P energy: -26.502 tors. eta vs tors. theta energy: -18.767 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: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1133.307530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.307530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.307530 (E_RNA) where: Base-Base interactions energy: -775.936 where: short stacking energy: -337.946 Base-Backbone interact. energy: -2.463 local terms energy: -354.908599 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -102.016 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: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1060.367504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.367504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.367504 (E_RNA) where: Base-Base interactions energy: -734.757 where: short stacking energy: -316.011 Base-Backbone interact. energy: -0.726 local terms energy: -324.884185 where: bonds (distance) C4'-P energy: -64.499 bonds (distance) P-C4' energy: -68.604 flat angles C4'-P-C4' energy: -64.210 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -87.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -961.844489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.844489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.844489 (E_RNA) where: Base-Base interactions energy: -653.559 where: short stacking energy: -294.490 Base-Backbone interact. energy: 0.083 local terms energy: -308.368584 where: bonds (distance) C4'-P energy: -61.027 bonds (distance) P-C4' energy: -64.542 flat angles C4'-P-C4' energy: -65.090 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -71.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1012.766988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.766988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.766988 (E_RNA) where: Base-Base interactions energy: -705.184 where: short stacking energy: -314.046 Base-Backbone interact. energy: -1.999 local terms energy: -305.583382 where: bonds (distance) C4'-P energy: -53.732 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -70.219 flat angles P-C4'-P energy: -35.074 tors. eta vs tors. theta energy: -87.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -962.013058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.013058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.013058 (E_RNA) where: Base-Base interactions energy: -651.875 where: short stacking energy: -288.575 Base-Backbone interact. energy: -0.973 local terms energy: -309.165171 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -61.745 flat angles C4'-P-C4' energy: -63.840 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: -78.443 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: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -896.824477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.824477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.824477 (E_RNA) where: Base-Base interactions energy: -607.188 where: short stacking energy: -267.727 Base-Backbone interact. energy: -0.808 local terms energy: -288.828233 where: bonds (distance) C4'-P energy: -61.495 bonds (distance) P-C4' energy: -55.745 flat angles C4'-P-C4' energy: -62.177 flat angles P-C4'-P energy: -41.468 tors. eta vs tors. theta energy: -67.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -811.761244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.761244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.761244 (E_RNA) where: Base-Base interactions energy: -526.013 where: short stacking energy: -237.819 Base-Backbone interact. energy: -2.502 local terms energy: -283.245265 where: bonds (distance) C4'-P energy: -65.509 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -62.279 flat angles P-C4'-P energy: -40.680 tors. eta vs tors. theta energy: -55.294 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: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -676.505968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.505968 (E_RNA) where: Base-Base interactions energy: -431.856 where: short stacking energy: -196.131 Base-Backbone interact. energy: -0.030 local terms energy: -244.619917 where: bonds (distance) C4'-P energy: -63.962 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -50.468 flat angles P-C4'-P energy: -28.147 tors. eta vs tors. theta energy: -37.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -540.767292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.767292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.767292 (E_RNA) where: Base-Base interactions energy: -337.849 where: short stacking energy: -171.358 Base-Backbone interact. energy: 1.639 local terms energy: -204.557038 where: bonds (distance) C4'-P energy: -40.577 bonds (distance) P-C4' energy: -36.934 flat angles C4'-P-C4' energy: -53.605 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -32.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -384.991251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.991251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.991251 (E_RNA) where: Base-Base interactions energy: -211.704 where: short stacking energy: -105.663 Base-Backbone interact. energy: 2.638 local terms energy: -175.924953 where: bonds (distance) C4'-P energy: -44.328 bonds (distance) P-C4' energy: -60.436 flat angles C4'-P-C4' energy: -40.836 flat angles P-C4'-P energy: -28.405 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1105.092316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.092316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.092316 (E_RNA) where: Base-Base interactions energy: -776.147 where: short stacking energy: -341.421 Base-Backbone interact. energy: -0.717 local terms energy: -328.227934 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -80.282 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -81.914 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: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1102.098575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.098575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.098575 (E_RNA) where: Base-Base interactions energy: -759.847 where: short stacking energy: -336.967 Base-Backbone interact. energy: -0.856 local terms energy: -341.395765 where: bonds (distance) C4'-P energy: -62.442 bonds (distance) P-C4' energy: -68.979 flat angles C4'-P-C4' energy: -68.337 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: -101.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1046.173679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.173679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.173679 (E_RNA) where: Base-Base interactions energy: -715.940 where: short stacking energy: -313.543 Base-Backbone interact. energy: -0.468 local terms energy: -329.765248 where: bonds (distance) C4'-P energy: -69.456 bonds (distance) P-C4' energy: -58.948 flat angles C4'-P-C4' energy: -68.362 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -85.017 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: 76 Temperature: 1.050000 Total energy: -982.159700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.159700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.159700 (E_RNA) where: Base-Base interactions energy: -680.992 where: short stacking energy: -305.769 Base-Backbone interact. energy: -1.458 local terms energy: -299.709809 where: bonds (distance) C4'-P energy: -62.487 bonds (distance) P-C4' energy: -60.525 flat angles C4'-P-C4' energy: -63.702 flat angles P-C4'-P energy: -42.573 tors. eta vs tors. theta energy: -70.422 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: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -954.656112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.656112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.656112 (E_RNA) where: Base-Base interactions energy: -652.074 where: short stacking energy: -290.661 Base-Backbone interact. energy: -0.662 local terms energy: -301.919550 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -57.107 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: -76.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -947.396279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.396279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.396279 (E_RNA) where: Base-Base interactions energy: -650.901 where: short stacking energy: -285.452 Base-Backbone interact. energy: -0.202 local terms energy: -296.293260 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -58.865 flat angles C4'-P-C4' energy: -71.454 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -75.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -674.662287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.662287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.662287 (E_RNA) where: Base-Base interactions energy: -444.020 where: short stacking energy: -202.445 Base-Backbone interact. energy: -1.264 local terms energy: -229.378496 where: bonds (distance) C4'-P energy: -54.605 bonds (distance) P-C4' energy: -52.760 flat angles C4'-P-C4' energy: -48.954 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: -34.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -784.324620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.324620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.324620 (E_RNA) where: Base-Base interactions energy: -521.848 where: short stacking energy: -225.444 Base-Backbone interact. energy: 1.165 local terms energy: -263.642057 where: bonds (distance) C4'-P energy: -61.382 bonds (distance) P-C4' energy: -54.464 flat angles C4'-P-C4' energy: -55.957 flat angles P-C4'-P energy: -39.360 tors. eta vs tors. theta energy: -52.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -536.656577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.656577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.656577 (E_RNA) where: Base-Base interactions energy: -324.996 where: short stacking energy: -174.108 Base-Backbone interact. energy: -0.055 local terms energy: -211.605529 where: bonds (distance) C4'-P energy: -42.019 bonds (distance) P-C4' energy: -54.424 flat angles C4'-P-C4' energy: -56.106 flat angles P-C4'-P energy: -25.464 tors. eta vs tors. theta energy: -33.593 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: 76 Temperature: 1.350000 Total energy: -437.998833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.998833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.998833 (E_RNA) where: Base-Base interactions energy: -241.895 where: short stacking energy: -142.305 Base-Backbone interact. energy: -0.643 local terms energy: -195.461736 where: bonds (distance) C4'-P energy: -56.782 bonds (distance) P-C4' energy: -47.617 flat angles C4'-P-C4' energy: -38.571 flat angles P-C4'-P energy: -31.647 tors. eta vs tors. theta energy: -20.845 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: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1092.071564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.071564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.071564 (E_RNA) where: Base-Base interactions energy: -755.548 where: short stacking energy: -323.104 Base-Backbone interact. energy: -2.408 local terms energy: -334.115017 where: bonds (distance) C4'-P energy: -65.452 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -89.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1118.558850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.558850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.558850 (E_RNA) where: Base-Base interactions energy: -769.599 where: short stacking energy: -328.593 Base-Backbone interact. energy: -2.070 local terms energy: -346.890457 where: bonds (distance) C4'-P energy: -65.848 bonds (distance) P-C4' energy: -67.775 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -96.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1019.932318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.932318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.932318 (E_RNA) where: Base-Base interactions energy: -705.151 where: short stacking energy: -302.757 Base-Backbone interact. energy: -1.636 local terms energy: -313.145703 where: bonds (distance) C4'-P energy: -49.541 bonds (distance) P-C4' energy: -63.142 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -80.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -979.937543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.937543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.937543 (E_RNA) where: Base-Base interactions energy: -667.523 where: short stacking energy: -289.020 Base-Backbone interact. energy: -2.168 local terms energy: -310.246545 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -45.785 tors. eta vs tors. theta energy: -76.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -958.337470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.337470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.337470 (E_RNA) where: Base-Base interactions energy: -649.551 where: short stacking energy: -282.931 Base-Backbone interact. energy: -0.886 local terms energy: -307.900291 where: bonds (distance) C4'-P energy: -61.096 bonds (distance) P-C4' energy: -59.817 flat angles C4'-P-C4' energy: -64.867 flat angles P-C4'-P energy: -46.667 tors. eta vs tors. theta energy: -75.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -911.188572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.188572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.188572 (E_RNA) where: Base-Base interactions energy: -608.961 where: short stacking energy: -288.664 Base-Backbone interact. energy: -0.371 local terms energy: -301.856084 where: bonds (distance) C4'-P energy: -54.856 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -34.840 tors. eta vs tors. theta energy: -82.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -647.846962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.846962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.846962 (E_RNA) where: Base-Base interactions energy: -395.808 where: short stacking energy: -195.042 Base-Backbone interact. energy: -0.493 local terms energy: -251.546274 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -58.807 flat angles C4'-P-C4' energy: -52.102 flat angles P-C4'-P energy: -40.417 tors. eta vs tors. theta energy: -47.546 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: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -769.741667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.741667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.741667 (E_RNA) where: Base-Base interactions energy: -524.467 where: short stacking energy: -229.890 Base-Backbone interact. energy: 5.883 local terms energy: -251.156802 where: bonds (distance) C4'-P energy: -52.262 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -59.613 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -48.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -561.550620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.550620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.550620 (E_RNA) where: Base-Base interactions energy: -345.702 where: short stacking energy: -173.858 Base-Backbone interact. energy: -0.812 local terms energy: -215.036344 where: bonds (distance) C4'-P energy: -49.405 bonds (distance) P-C4' energy: -48.173 flat angles C4'-P-C4' energy: -56.079 flat angles P-C4'-P energy: -26.942 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: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -434.173236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.173236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.173236 (E_RNA) where: Base-Base interactions energy: -247.687 where: short stacking energy: -139.876 Base-Backbone interact. energy: 2.479 local terms energy: -188.964749 where: bonds (distance) C4'-P energy: -50.611 bonds (distance) P-C4' energy: -51.472 flat angles C4'-P-C4' energy: -44.870 flat angles P-C4'-P energy: -31.211 tors. eta vs tors. theta energy: -10.800 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: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1147.267618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.267618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.267618 (E_RNA) where: Base-Base interactions energy: -779.086 where: short stacking energy: -336.882 Base-Backbone interact. energy: -2.454 local terms energy: -365.727488 where: bonds (distance) C4'-P energy: -69.888 bonds (distance) P-C4' energy: -70.807 flat angles C4'-P-C4' energy: -73.350 flat angles P-C4'-P energy: -49.643 tors. eta vs tors. theta energy: -102.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1059.546436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.546436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.546436 (E_RNA) where: Base-Base interactions energy: -720.939 where: short stacking energy: -309.749 Base-Backbone interact. energy: -1.999 local terms energy: -336.607940 where: bonds (distance) C4'-P energy: -71.397 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -44.138 tors. eta vs tors. theta energy: -88.386 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: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1019.322700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.322700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.322700 (E_RNA) where: Base-Base interactions energy: -705.155 where: short stacking energy: -314.865 Base-Backbone interact. energy: -1.349 local terms energy: -312.818703 where: bonds (distance) C4'-P energy: -53.345 bonds (distance) P-C4' energy: -57.772 flat angles C4'-P-C4' energy: -68.882 flat angles P-C4'-P energy: -44.564 tors. eta vs tors. theta energy: -88.257 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: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1003.874243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.874243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.874243 (E_RNA) where: Base-Base interactions energy: -708.895 where: short stacking energy: -313.608 Base-Backbone interact. energy: -0.575 local terms energy: -294.404289 where: bonds (distance) C4'-P energy: -54.162 bonds (distance) P-C4' energy: -51.756 flat angles C4'-P-C4' energy: -66.573 flat angles P-C4'-P energy: -43.815 tors. eta vs tors. theta energy: -78.099 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: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -955.084140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.084140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.084140 (E_RNA) where: Base-Base interactions energy: -662.159 where: short stacking energy: -280.443 Base-Backbone interact. energy: -0.411 local terms energy: -292.514035 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -49.753 flat angles C4'-P-C4' energy: -59.176 flat angles P-C4'-P energy: -44.488 tors. eta vs tors. theta energy: -83.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -908.004535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.004535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.004535 (E_RNA) where: Base-Base interactions energy: -620.074 where: short stacking energy: -281.911 Base-Backbone interact. energy: -0.779 local terms energy: -287.151748 where: bonds (distance) C4'-P energy: -49.628 bonds (distance) P-C4' energy: -60.169 flat angles C4'-P-C4' energy: -57.059 flat angles P-C4'-P energy: -39.017 tors. eta vs tors. theta energy: -81.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -829.865387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.865387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.865387 (E_RNA) where: Base-Base interactions energy: -548.065 where: short stacking energy: -256.266 Base-Backbone interact. energy: 4.833 local terms energy: -286.633380 where: bonds (distance) C4'-P energy: -49.266 bonds (distance) P-C4' energy: -58.159 flat angles C4'-P-C4' energy: -73.142 flat angles P-C4'-P energy: -42.544 tors. eta vs tors. theta energy: -63.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -614.971165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.971165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.971165 (E_RNA) where: Base-Base interactions energy: -395.398 where: short stacking energy: -172.106 Base-Backbone interact. energy: -3.525 local terms energy: -216.048581 where: bonds (distance) C4'-P energy: -54.748 bonds (distance) P-C4' energy: -52.479 flat angles C4'-P-C4' energy: -58.518 flat angles P-C4'-P energy: -28.237 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: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -528.843199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.843199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.843199 (E_RNA) where: Base-Base interactions energy: -315.903 where: short stacking energy: -152.067 Base-Backbone interact. energy: 0.750 local terms energy: -213.690774 where: bonds (distance) C4'-P energy: -48.516 bonds (distance) P-C4' energy: -59.415 flat angles C4'-P-C4' energy: -58.537 flat angles P-C4'-P energy: -23.479 tors. eta vs tors. theta energy: -23.745 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: 78 Temperature: 1.350000 Total energy: -394.132979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.132979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.132979 (E_RNA) where: Base-Base interactions energy: -209.038 where: short stacking energy: -113.401 Base-Backbone interact. energy: -1.814 local terms energy: -183.281101 where: bonds (distance) C4'-P energy: -50.834 bonds (distance) P-C4' energy: -59.844 flat angles C4'-P-C4' energy: -36.505 flat angles P-C4'-P energy: -32.322 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1128.345719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.345719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.345719 (E_RNA) where: Base-Base interactions energy: -778.113 where: short stacking energy: -337.203 Base-Backbone interact. energy: 0.069 local terms energy: -350.302116 where: bonds (distance) C4'-P energy: -65.584 bonds (distance) P-C4' energy: -63.049 flat angles C4'-P-C4' energy: -78.337 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -94.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1035.306009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.306009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.306009 (E_RNA) where: Base-Base interactions energy: -731.382 where: short stacking energy: -317.674 Base-Backbone interact. energy: -1.886 local terms energy: -302.037327 where: bonds (distance) C4'-P energy: -56.728 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -35.053 tors. eta vs tors. theta energy: -81.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1006.119138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.119138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.119138 (E_RNA) where: Base-Base interactions energy: -717.245 where: short stacking energy: -317.022 Base-Backbone interact. energy: -0.384 local terms energy: -288.489781 where: bonds (distance) C4'-P energy: -52.213 bonds (distance) P-C4' energy: -62.625 flat angles C4'-P-C4' energy: -56.157 flat angles P-C4'-P energy: -32.588 tors. eta vs tors. theta energy: -84.907 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: 79 Temperature: 1.050000 Total energy: -1042.268774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.268774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.268774 (E_RNA) where: Base-Base interactions energy: -715.848 where: short stacking energy: -322.478 Base-Backbone interact. energy: -0.751 local terms energy: -325.669482 where: bonds (distance) C4'-P energy: -70.777 bonds (distance) P-C4' energy: -53.975 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -42.512 tors. eta vs tors. theta energy: -91.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -956.934524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.934524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.934524 (E_RNA) where: Base-Base interactions energy: -660.073 where: short stacking energy: -291.214 Base-Backbone interact. energy: -0.246 local terms energy: -296.615533 where: bonds (distance) C4'-P energy: -49.635 bonds (distance) P-C4' energy: -63.515 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -74.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -908.086478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.086478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.086478 (E_RNA) where: Base-Base interactions energy: -604.910 where: short stacking energy: -288.851 Base-Backbone interact. energy: 0.939 local terms energy: -304.115478 where: bonds (distance) C4'-P energy: -55.877 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -62.987 flat angles P-C4'-P energy: -41.101 tors. eta vs tors. theta energy: -86.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -881.322337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.322337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.322337 (E_RNA) where: Base-Base interactions energy: -613.234 where: short stacking energy: -293.407 Base-Backbone interact. energy: 1.499 local terms energy: -269.587937 where: bonds (distance) C4'-P energy: -45.760 bonds (distance) P-C4' energy: -46.606 flat angles C4'-P-C4' energy: -66.372 flat angles P-C4'-P energy: -40.269 tors. eta vs tors. theta energy: -70.582 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: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -629.038234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.038234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.038234 (E_RNA) where: Base-Base interactions energy: -391.326 where: short stacking energy: -179.393 Base-Backbone interact. energy: -1.307 local terms energy: -236.405599 where: bonds (distance) C4'-P energy: -49.149 bonds (distance) P-C4' energy: -60.245 flat angles C4'-P-C4' energy: -56.443 flat angles P-C4'-P energy: -40.215 tors. eta vs tors. theta energy: -30.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -513.838775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.838775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.838775 (E_RNA) where: Base-Base interactions energy: -294.703 where: short stacking energy: -135.800 Base-Backbone interact. energy: -0.347 local terms energy: -218.789446 where: bonds (distance) C4'-P energy: -61.380 bonds (distance) P-C4' energy: -57.520 flat angles C4'-P-C4' energy: -43.393 flat angles P-C4'-P energy: -24.417 tors. eta vs tors. theta energy: -32.079 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: 79 Temperature: 1.350000 Total energy: -359.478423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.478423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.478423 (E_RNA) where: Base-Base interactions energy: -156.714 where: short stacking energy: -115.089 Base-Backbone interact. energy: 0.175 local terms energy: -202.939591 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -53.539 flat angles C4'-P-C4' energy: -48.335 flat angles P-C4'-P energy: -22.661 tors. eta vs tors. theta energy: -21.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1142.492533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.492533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.492533 (E_RNA) where: Base-Base interactions energy: -796.743 where: short stacking energy: -360.242 Base-Backbone interact. energy: -1.085 local terms energy: -344.664535 where: bonds (distance) C4'-P energy: -67.641 bonds (distance) P-C4' energy: -62.011 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: -98.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1036.567289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.567289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.567289 (E_RNA) where: Base-Base interactions energy: -711.870 where: short stacking energy: -306.957 Base-Backbone interact. energy: 0.314 local terms energy: -325.011267 where: bonds (distance) C4'-P energy: -60.056 bonds (distance) P-C4' energy: -69.121 flat angles C4'-P-C4' energy: -68.130 flat angles P-C4'-P energy: -44.487 tors. eta vs tors. theta energy: -83.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1054.734162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.734162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.734162 (E_RNA) where: Base-Base interactions energy: -724.803 where: short stacking energy: -325.532 Base-Backbone interact. energy: -1.271 local terms energy: -328.659993 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -69.576 flat angles C4'-P-C4' energy: -70.400 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -93.253 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: 80 Temperature: 1.050000 Total energy: -1010.472210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.472210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.472210 (E_RNA) where: Base-Base interactions energy: -714.952 where: short stacking energy: -315.422 Base-Backbone interact. energy: -1.316 local terms energy: -294.203839 where: bonds (distance) C4'-P energy: -45.654 bonds (distance) P-C4' energy: -57.641 flat angles C4'-P-C4' energy: -65.051 flat angles P-C4'-P energy: -41.748 tors. eta vs tors. theta energy: -84.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -946.988229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.988229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.988229 (E_RNA) where: Base-Base interactions energy: -636.714 where: short stacking energy: -284.588 Base-Backbone interact. energy: -0.515 local terms energy: -309.760002 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -70.110 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: -79.864 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: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -926.158191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.158191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.158191 (E_RNA) where: Base-Base interactions energy: -625.216 where: short stacking energy: -265.509 Base-Backbone interact. energy: -2.018 local terms energy: -298.924414 where: bonds (distance) C4'-P energy: -58.180 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -66.195 flat angles P-C4'-P energy: -46.516 tors. eta vs tors. theta energy: -67.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -853.521232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.521232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.521232 (E_RNA) where: Base-Base interactions energy: -581.185 where: short stacking energy: -257.624 Base-Backbone interact. energy: 0.595 local terms energy: -272.931481 where: bonds (distance) C4'-P energy: -67.184 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -66.858 flat angles P-C4'-P energy: -28.201 tors. eta vs tors. theta energy: -57.149 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: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -600.897368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.897368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.897368 (E_RNA) where: Base-Base interactions energy: -375.203 where: short stacking energy: -173.176 Base-Backbone interact. energy: 0.818 local terms energy: -226.512340 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -55.872 flat angles C4'-P-C4' energy: -48.774 flat angles P-C4'-P energy: -23.164 tors. eta vs tors. theta energy: -43.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -506.969676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.969676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.969676 (E_RNA) where: Base-Base interactions energy: -303.276 where: short stacking energy: -150.989 Base-Backbone interact. energy: -0.255 local terms energy: -203.439339 where: bonds (distance) C4'-P energy: -47.460 bonds (distance) P-C4' energy: -54.354 flat angles C4'-P-C4' energy: -52.565 flat angles P-C4'-P energy: -32.811 tors. eta vs tors. theta energy: -16.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -372.974683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.974683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.974683 (E_RNA) where: Base-Base interactions energy: -173.066 where: short stacking energy: -120.464 Base-Backbone interact. energy: 1.386 local terms energy: -201.295096 where: bonds (distance) C4'-P energy: -60.325 bonds (distance) P-C4' energy: -53.456 flat angles C4'-P-C4' energy: -52.628 flat angles P-C4'-P energy: -30.831 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1137.227427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.227427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.227427 (E_RNA) where: Base-Base interactions energy: -787.086 where: short stacking energy: -353.407 Base-Backbone interact. energy: -0.708 local terms energy: -349.433836 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -59.477 flat angles C4'-P-C4' energy: -72.858 flat angles P-C4'-P energy: -51.641 tors. eta vs tors. theta energy: -101.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1046.148688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.148688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.148688 (E_RNA) where: Base-Base interactions energy: -712.660 where: short stacking energy: -318.148 Base-Backbone interact. energy: -1.773 local terms energy: -331.715906 where: bonds (distance) C4'-P energy: -63.768 bonds (distance) P-C4' energy: -68.531 flat angles C4'-P-C4' energy: -77.066 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -79.796 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: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1050.759027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.759027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.759027 (E_RNA) where: Base-Base interactions energy: -718.576 where: short stacking energy: -305.886 Base-Backbone interact. energy: -1.040 local terms energy: -331.143189 where: bonds (distance) C4'-P energy: -47.585 bonds (distance) P-C4' energy: -69.436 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -93.211 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: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1006.625664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.625664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.625664 (E_RNA) where: Base-Base interactions energy: -689.736 where: short stacking energy: -300.247 Base-Backbone interact. energy: 0.317 local terms energy: -317.205891 where: bonds (distance) C4'-P energy: -52.176 bonds (distance) P-C4' energy: -72.979 flat angles C4'-P-C4' energy: -64.420 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -86.189 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: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -908.844660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.844660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.844660 (E_RNA) where: Base-Base interactions energy: -599.590 where: short stacking energy: -281.462 Base-Backbone interact. energy: -1.512 local terms energy: -307.742720 where: bonds (distance) C4'-P energy: -55.811 bonds (distance) P-C4' energy: -64.182 flat angles C4'-P-C4' energy: -66.857 flat angles P-C4'-P energy: -39.891 tors. eta vs tors. theta energy: -81.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -918.910101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.910101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.910101 (E_RNA) where: Base-Base interactions energy: -625.352 where: short stacking energy: -277.807 Base-Backbone interact. energy: -1.276 local terms energy: -292.282129 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -65.612 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -78.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -856.529272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.529272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.529272 (E_RNA) where: Base-Base interactions energy: -583.789 where: short stacking energy: -267.149 Base-Backbone interact. energy: -0.591 local terms energy: -272.149076 where: bonds (distance) C4'-P energy: -57.353 bonds (distance) P-C4' energy: -58.693 flat angles C4'-P-C4' energy: -51.985 flat angles P-C4'-P energy: -37.665 tors. eta vs tors. theta energy: -66.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -614.497584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.497584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.497584 (E_RNA) where: Base-Base interactions energy: -375.591 where: short stacking energy: -185.814 Base-Backbone interact. energy: 1.033 local terms energy: -239.939918 where: bonds (distance) C4'-P energy: -55.860 bonds (distance) P-C4' energy: -55.976 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -36.270 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: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -521.969476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.969476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.969476 (E_RNA) where: Base-Base interactions energy: -297.138 where: short stacking energy: -153.275 Base-Backbone interact. energy: -1.924 local terms energy: -222.907857 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -53.966 flat angles C4'-P-C4' energy: -57.867 flat angles P-C4'-P energy: -32.006 tors. eta vs tors. theta energy: -19.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -371.839169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.839169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.839169 (E_RNA) where: Base-Base interactions energy: -209.459 where: short stacking energy: -117.401 Base-Backbone interact. energy: 7.345 local terms energy: -169.725133 where: bonds (distance) C4'-P energy: -47.570 bonds (distance) P-C4' energy: -44.978 flat angles C4'-P-C4' energy: -41.549 flat angles P-C4'-P energy: -28.874 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1142.597358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.597358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.597358 (E_RNA) where: Base-Base interactions energy: -796.027 where: short stacking energy: -362.445 Base-Backbone interact. energy: -1.174 local terms energy: -345.396316 where: bonds (distance) C4'-P energy: -59.992 bonds (distance) P-C4' energy: -64.630 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -104.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1034.556060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.556060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.556060 (E_RNA) where: Base-Base interactions energy: -717.332 where: short stacking energy: -312.700 Base-Backbone interact. energy: -1.601 local terms energy: -315.623557 where: bonds (distance) C4'-P energy: -52.770 bonds (distance) P-C4' energy: -57.454 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -48.261 tors. eta vs tors. theta energy: -87.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1030.628211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.628211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.628211 (E_RNA) where: Base-Base interactions energy: -705.567 where: short stacking energy: -313.657 Base-Backbone interact. energy: -1.585 local terms energy: -323.476371 where: bonds (distance) C4'-P energy: -54.541 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -68.621 flat angles P-C4'-P energy: -51.831 tors. eta vs tors. theta energy: -88.912 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: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1034.591709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.591709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.591709 (E_RNA) where: Base-Base interactions energy: -713.488 where: short stacking energy: -320.928 Base-Backbone interact. energy: -0.716 local terms energy: -320.387964 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -62.714 flat angles C4'-P-C4' energy: -61.567 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -92.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -905.304797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.304797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.304797 (E_RNA) where: Base-Base interactions energy: -638.573 where: short stacking energy: -281.417 Base-Backbone interact. energy: -0.875 local terms energy: -265.857404 where: bonds (distance) C4'-P energy: -53.529 bonds (distance) P-C4' energy: -55.121 flat angles C4'-P-C4' energy: -55.009 flat angles P-C4'-P energy: -28.095 tors. eta vs tors. theta energy: -74.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -917.749941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.749941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.749941 (E_RNA) where: Base-Base interactions energy: -627.721 where: short stacking energy: -278.363 Base-Backbone interact. energy: -2.207 local terms energy: -287.822362 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -48.514 flat angles P-C4'-P energy: -48.496 tors. eta vs tors. theta energy: -69.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -859.299495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.299495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.299495 (E_RNA) where: Base-Base interactions energy: -575.339 where: short stacking energy: -247.720 Base-Backbone interact. energy: 0.503 local terms energy: -284.463341 where: bonds (distance) C4'-P energy: -59.479 bonds (distance) P-C4' energy: -56.455 flat angles C4'-P-C4' energy: -65.744 flat angles P-C4'-P energy: -40.813 tors. eta vs tors. theta energy: -61.973 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: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -662.787079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.787079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.787079 (E_RNA) where: Base-Base interactions energy: -417.421 where: short stacking energy: -186.867 Base-Backbone interact. energy: -0.457 local terms energy: -244.908785 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -63.281 flat angles C4'-P-C4' energy: -55.314 flat angles P-C4'-P energy: -28.059 tors. eta vs tors. theta energy: -37.171 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: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -503.873883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.873883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.873883 (E_RNA) where: Base-Base interactions energy: -292.323 where: short stacking energy: -135.157 Base-Backbone interact. energy: 0.374 local terms energy: -211.925050 where: bonds (distance) C4'-P energy: -49.798 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -56.618 flat angles P-C4'-P energy: -36.704 tors. eta vs tors. theta energy: -12.010 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: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -292.467076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.467076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.467076 (E_RNA) where: Base-Base interactions energy: -153.267 where: short stacking energy: -109.669 Base-Backbone interact. energy: -0.277 local terms energy: -138.923095 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -43.478 flat angles C4'-P-C4' energy: -31.665 flat angles P-C4'-P energy: -22.655 tors. eta vs tors. theta energy: 14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1128.772974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.772974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.772974 (E_RNA) where: Base-Base interactions energy: -781.060 where: short stacking energy: -359.167 Base-Backbone interact. energy: -0.391 local terms energy: -347.322001 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -65.937 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -102.702 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: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1061.374373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.374373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.374373 (E_RNA) where: Base-Base interactions energy: -727.995 where: short stacking energy: -317.742 Base-Backbone interact. energy: -1.907 local terms energy: -331.472872 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -41.986 tors. eta vs tors. theta energy: -88.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1088.215156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.215156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.215156 (E_RNA) where: Base-Base interactions energy: -762.454 where: short stacking energy: -311.622 Base-Backbone interact. energy: -1.312 local terms energy: -324.448547 where: bonds (distance) C4'-P energy: -53.422 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -68.340 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: -83.959 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: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -960.393150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.393150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.393150 (E_RNA) where: Base-Base interactions energy: -647.444 where: short stacking energy: -302.603 Base-Backbone interact. energy: -0.096 local terms energy: -312.853175 where: bonds (distance) C4'-P energy: -60.178 bonds (distance) P-C4' energy: -52.808 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -83.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -991.797515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.797515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.797515 (E_RNA) where: Base-Base interactions energy: -680.525 where: short stacking energy: -297.541 Base-Backbone interact. energy: -0.532 local terms energy: -310.740422 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -63.615 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -82.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -897.603199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.603199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.603199 (E_RNA) where: Base-Base interactions energy: -626.025 where: short stacking energy: -280.524 Base-Backbone interact. energy: -0.810 local terms energy: -270.768694 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -63.348 flat angles C4'-P-C4' energy: -50.485 flat angles P-C4'-P energy: -33.187 tors. eta vs tors. theta energy: -65.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -875.339848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.339848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.339848 (E_RNA) where: Base-Base interactions energy: -602.004 where: short stacking energy: -266.747 Base-Backbone interact. energy: -0.022 local terms energy: -273.314377 where: bonds (distance) C4'-P energy: -52.734 bonds (distance) P-C4' energy: -35.101 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -70.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -656.714114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.714114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.714114 (E_RNA) where: Base-Base interactions energy: -406.598 where: short stacking energy: -192.582 Base-Backbone interact. energy: -0.478 local terms energy: -249.638346 where: bonds (distance) C4'-P energy: -52.487 bonds (distance) P-C4' energy: -56.633 flat angles C4'-P-C4' energy: -57.118 flat angles P-C4'-P energy: -42.928 tors. eta vs tors. theta energy: -40.472 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: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -505.186905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.186905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.186905 (E_RNA) where: Base-Base interactions energy: -281.426 where: short stacking energy: -146.157 Base-Backbone interact. energy: -0.703 local terms energy: -223.057749 where: bonds (distance) C4'-P energy: -46.667 bonds (distance) P-C4' energy: -55.967 flat angles C4'-P-C4' energy: -47.824 flat angles P-C4'-P energy: -40.991 tors. eta vs tors. theta energy: -31.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -295.452940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.452940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.452940 (E_RNA) where: Base-Base interactions energy: -129.347 where: short stacking energy: -101.326 Base-Backbone interact. energy: 1.223 local terms energy: -167.328315 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -51.046 flat angles C4'-P-C4' energy: -46.391 flat angles P-C4'-P energy: -22.719 tors. eta vs tors. theta energy: 3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1139.735257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.735257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.735257 (E_RNA) where: Base-Base interactions energy: -795.009 where: short stacking energy: -347.151 Base-Backbone interact. energy: -1.325 local terms energy: -343.401828 where: bonds (distance) C4'-P energy: -59.777 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -74.457 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -100.714 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: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1078.700677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.700677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.700677 (E_RNA) where: Base-Base interactions energy: -749.161 where: short stacking energy: -332.309 Base-Backbone interact. energy: -2.863 local terms energy: -326.676175 where: bonds (distance) C4'-P energy: -65.367 bonds (distance) P-C4' energy: -57.740 flat angles C4'-P-C4' energy: -73.317 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -86.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1049.454406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.454406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.454406 (E_RNA) where: Base-Base interactions energy: -744.603 where: short stacking energy: -305.935 Base-Backbone interact. energy: 0.756 local terms energy: -305.607622 where: bonds (distance) C4'-P energy: -51.127 bonds (distance) P-C4' energy: -60.769 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -33.280 tors. eta vs tors. theta energy: -88.288 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: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -966.457672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.457672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.457672 (E_RNA) where: Base-Base interactions energy: -657.056 where: short stacking energy: -307.269 Base-Backbone interact. energy: -0.462 local terms energy: -308.939098 where: bonds (distance) C4'-P energy: -52.907 bonds (distance) P-C4' energy: -67.030 flat angles C4'-P-C4' energy: -72.363 flat angles P-C4'-P energy: -39.328 tors. eta vs tors. theta energy: -77.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -989.743697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.743697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.743697 (E_RNA) where: Base-Base interactions energy: -680.541 where: short stacking energy: -309.879 Base-Backbone interact. energy: 0.438 local terms energy: -309.640618 where: bonds (distance) C4'-P energy: -46.467 bonds (distance) P-C4' energy: -62.167 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -91.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -910.157410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.157410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.157410 (E_RNA) where: Base-Base interactions energy: -631.456 where: short stacking energy: -278.000 Base-Backbone interact. energy: 2.665 local terms energy: -281.367038 where: bonds (distance) C4'-P energy: -56.554 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -57.699 flat angles P-C4'-P energy: -43.179 tors. eta vs tors. theta energy: -66.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -873.537608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.537608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.537608 (E_RNA) where: Base-Base interactions energy: -601.770 where: short stacking energy: -295.978 Base-Backbone interact. energy: -1.744 local terms energy: -270.023943 where: bonds (distance) C4'-P energy: -57.350 bonds (distance) P-C4' energy: -51.809 flat angles C4'-P-C4' energy: -62.798 flat angles P-C4'-P energy: -27.990 tors. eta vs tors. theta energy: -70.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -644.273253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.273253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.273253 (E_RNA) where: Base-Base interactions energy: -399.486 where: short stacking energy: -190.481 Base-Backbone interact. energy: -0.556 local terms energy: -244.231263 where: bonds (distance) C4'-P energy: -59.909 bonds (distance) P-C4' energy: -56.426 flat angles C4'-P-C4' energy: -47.681 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -34.932 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: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -559.014412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.014412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.014412 (E_RNA) where: Base-Base interactions energy: -340.357 where: short stacking energy: -149.509 Base-Backbone interact. energy: 2.739 local terms energy: -221.396015 where: bonds (distance) C4'-P energy: -56.340 bonds (distance) P-C4' energy: -57.552 flat angles C4'-P-C4' energy: -48.392 flat angles P-C4'-P energy: -27.083 tors. eta vs tors. theta energy: -32.029 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: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -306.042273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.042273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.042273 (E_RNA) where: Base-Base interactions energy: -126.782 where: short stacking energy: -106.813 Base-Backbone interact. energy: 1.507 local terms energy: -180.767736 where: bonds (distance) C4'-P energy: -57.109 bonds (distance) P-C4' energy: -47.601 flat angles C4'-P-C4' energy: -46.812 flat angles P-C4'-P energy: -21.334 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: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1121.221554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.221554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.221554 (E_RNA) where: Base-Base interactions energy: -781.263 where: short stacking energy: -346.438 Base-Backbone interact. energy: 0.178 local terms energy: -340.137054 where: bonds (distance) C4'-P energy: -57.606 bonds (distance) P-C4' energy: -68.607 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -40.915 tors. eta vs tors. theta energy: -99.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1055.830599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.830599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.830599 (E_RNA) where: Base-Base interactions energy: -730.124 where: short stacking energy: -321.905 Base-Backbone interact. energy: -0.048 local terms energy: -325.657991 where: bonds (distance) C4'-P energy: -66.341 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -67.018 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: -89.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1051.122778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.122778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.122778 (E_RNA) where: Base-Base interactions energy: -724.970 where: short stacking energy: -315.228 Base-Backbone interact. energy: -0.862 local terms energy: -325.290834 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -62.498 flat angles C4'-P-C4' energy: -67.649 flat angles P-C4'-P energy: -44.869 tors. eta vs tors. theta energy: -91.325 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: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1016.354934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.354934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.354934 (E_RNA) where: Base-Base interactions energy: -705.421 where: short stacking energy: -306.816 Base-Backbone interact. energy: 1.934 local terms energy: -312.867792 where: bonds (distance) C4'-P energy: -59.223 bonds (distance) P-C4' energy: -57.377 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -44.170 tors. eta vs tors. theta energy: -83.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -925.782591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.782591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.782591 (E_RNA) where: Base-Base interactions energy: -634.781 where: short stacking energy: -262.771 Base-Backbone interact. energy: -1.125 local terms energy: -289.876872 where: bonds (distance) C4'-P energy: -56.122 bonds (distance) P-C4' energy: -59.406 flat angles C4'-P-C4' energy: -61.327 flat angles P-C4'-P energy: -35.490 tors. eta vs tors. theta energy: -77.531 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: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -895.711503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.711503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.711503 (E_RNA) where: Base-Base interactions energy: -617.227 where: short stacking energy: -273.070 Base-Backbone interact. energy: -0.266 local terms energy: -278.218543 where: bonds (distance) C4'-P energy: -52.301 bonds (distance) P-C4' energy: -57.274 flat angles C4'-P-C4' energy: -69.277 flat angles P-C4'-P energy: -36.949 tors. eta vs tors. theta energy: -62.417 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: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -872.895510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.895510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.895510 (E_RNA) where: Base-Base interactions energy: -606.891 where: short stacking energy: -275.356 Base-Backbone interact. energy: -1.172 local terms energy: -264.832551 where: bonds (distance) C4'-P energy: -47.542 bonds (distance) P-C4' energy: -59.384 flat angles C4'-P-C4' energy: -47.461 flat angles P-C4'-P energy: -38.247 tors. eta vs tors. theta energy: -72.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -568.775063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.775063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.775063 (E_RNA) where: Base-Base interactions energy: -376.729 where: short stacking energy: -176.046 Base-Backbone interact. energy: 2.963 local terms energy: -195.009175 where: bonds (distance) C4'-P energy: -44.552 bonds (distance) P-C4' energy: -51.427 flat angles C4'-P-C4' energy: -44.289 flat angles P-C4'-P energy: -32.292 tors. eta vs tors. theta energy: -22.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -539.123086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.123086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.123086 (E_RNA) where: Base-Base interactions energy: -327.429 where: short stacking energy: -158.334 Base-Backbone interact. energy: -0.790 local terms energy: -210.904208 where: bonds (distance) C4'-P energy: -40.102 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -51.424 flat angles P-C4'-P energy: -27.401 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: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -309.437870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.437870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.437870 (E_RNA) where: Base-Base interactions energy: -137.495 where: short stacking energy: -102.742 Base-Backbone interact. energy: -0.927 local terms energy: -171.016095 where: bonds (distance) C4'-P energy: -46.948 bonds (distance) P-C4' energy: -48.998 flat angles C4'-P-C4' energy: -44.138 flat angles P-C4'-P energy: -19.163 tors. eta vs tors. theta energy: -11.769 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: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1124.489269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.489269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.489269 (E_RNA) where: Base-Base interactions energy: -768.309 where: short stacking energy: -348.801 Base-Backbone interact. energy: -2.026 local terms energy: -354.154789 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -101.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1058.380365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.380365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.380365 (E_RNA) where: Base-Base interactions energy: -734.802 where: short stacking energy: -319.169 Base-Backbone interact. energy: -0.869 local terms energy: -322.709077 where: bonds (distance) C4'-P energy: -73.572 bonds (distance) P-C4' energy: -56.695 flat angles C4'-P-C4' energy: -67.359 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -80.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1018.718850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.718850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.718850 (E_RNA) where: Base-Base interactions energy: -705.831 where: short stacking energy: -319.733 Base-Backbone interact. energy: 0.914 local terms energy: -313.801967 where: bonds (distance) C4'-P energy: -64.076 bonds (distance) P-C4' energy: -61.678 flat angles C4'-P-C4' energy: -61.968 flat angles P-C4'-P energy: -39.551 tors. eta vs tors. theta energy: -86.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -994.724208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.724208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.724208 (E_RNA) where: Base-Base interactions energy: -690.150 where: short stacking energy: -317.633 Base-Backbone interact. energy: -0.586 local terms energy: -303.988338 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -56.742 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -42.734 tors. eta vs tors. theta energy: -81.760 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: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -934.606304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.606304 (E_RNA) where: Base-Base interactions energy: -629.106 where: short stacking energy: -281.985 Base-Backbone interact. energy: -0.455 local terms energy: -305.044845 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -62.680 flat angles C4'-P-C4' energy: -61.971 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -67.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -917.698855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.698855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.698855 (E_RNA) where: Base-Base interactions energy: -645.913 where: short stacking energy: -287.676 Base-Backbone interact. energy: -1.718 local terms energy: -270.067660 where: bonds (distance) C4'-P energy: -51.679 bonds (distance) P-C4' energy: -53.845 flat angles C4'-P-C4' energy: -59.231 flat angles P-C4'-P energy: -30.526 tors. eta vs tors. theta energy: -74.787 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: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -893.325598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.325598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.325598 (E_RNA) where: Base-Base interactions energy: -610.789 where: short stacking energy: -285.353 Base-Backbone interact. energy: -1.206 local terms energy: -281.330392 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -59.521 flat angles C4'-P-C4' energy: -58.576 flat angles P-C4'-P energy: -37.610 tors. eta vs tors. theta energy: -68.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -652.423545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.423545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.423545 (E_RNA) where: Base-Base interactions energy: -412.995 where: short stacking energy: -196.411 Base-Backbone interact. energy: 0.421 local terms energy: -239.850016 where: bonds (distance) C4'-P energy: -50.081 bonds (distance) P-C4' energy: -50.815 flat angles C4'-P-C4' energy: -60.994 flat angles P-C4'-P energy: -29.952 tors. eta vs tors. theta energy: -48.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -537.049802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.049802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.049802 (E_RNA) where: Base-Base interactions energy: -331.039 where: short stacking energy: -156.999 Base-Backbone interact. energy: 0.852 local terms energy: -206.862918 where: bonds (distance) C4'-P energy: -55.715 bonds (distance) P-C4' energy: -63.733 flat angles C4'-P-C4' energy: -38.670 flat angles P-C4'-P energy: -25.506 tors. eta vs tors. theta energy: -23.238 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: 86 Temperature: 1.350000 Total energy: -303.701517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.701517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.701517 (E_RNA) where: Base-Base interactions energy: -120.491 where: short stacking energy: -97.040 Base-Backbone interact. energy: 0.365 local terms energy: -183.575046 where: bonds (distance) C4'-P energy: -48.245 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -54.993 flat angles P-C4'-P energy: -25.979 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1115.322741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.322741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.322741 (E_RNA) where: Base-Base interactions energy: -773.215 where: short stacking energy: -341.486 Base-Backbone interact. energy: -2.019 local terms energy: -340.088621 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -67.991 flat angles C4'-P-C4' energy: -63.052 flat angles P-C4'-P energy: -49.666 tors. eta vs tors. theta energy: -95.534 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: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1080.642497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.642497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.642497 (E_RNA) where: Base-Base interactions energy: -741.746 where: short stacking energy: -326.145 Base-Backbone interact. energy: -1.248 local terms energy: -337.648150 where: bonds (distance) C4'-P energy: -66.951 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -44.731 tors. eta vs tors. theta energy: -89.453 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: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1033.990011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.990011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.990011 (E_RNA) where: Base-Base interactions energy: -711.073 where: short stacking energy: -320.538 Base-Backbone interact. energy: -1.851 local terms energy: -321.066625 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -60.658 flat angles C4'-P-C4' energy: -72.344 flat angles P-C4'-P energy: -40.065 tors. eta vs tors. theta energy: -89.846 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: 87 Temperature: 1.050000 Total energy: -996.904237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.904237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.904237 (E_RNA) where: Base-Base interactions energy: -686.214 where: short stacking energy: -296.839 Base-Backbone interact. energy: 0.635 local terms energy: -311.325075 where: bonds (distance) C4'-P energy: -56.554 bonds (distance) P-C4' energy: -59.102 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -39.679 tors. eta vs tors. theta energy: -91.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -913.957951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.957951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.957951 (E_RNA) where: Base-Base interactions energy: -622.775 where: short stacking energy: -284.058 Base-Backbone interact. energy: 2.085 local terms energy: -293.267885 where: bonds (distance) C4'-P energy: -45.217 bonds (distance) P-C4' energy: -68.427 flat angles C4'-P-C4' energy: -67.202 flat angles P-C4'-P energy: -38.085 tors. eta vs tors. theta energy: -74.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -888.312038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.312038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.312038 (E_RNA) where: Base-Base interactions energy: -615.646 where: short stacking energy: -268.311 Base-Backbone interact. energy: -0.228 local terms energy: -272.438915 where: bonds (distance) C4'-P energy: -44.259 bonds (distance) P-C4' energy: -57.929 flat angles C4'-P-C4' energy: -58.720 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: -66.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -818.189587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.189587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.189587 (E_RNA) where: Base-Base interactions energy: -572.496 where: short stacking energy: -246.951 Base-Backbone interact. energy: 1.136 local terms energy: -246.829662 where: bonds (distance) C4'-P energy: -49.271 bonds (distance) P-C4' energy: -53.297 flat angles C4'-P-C4' energy: -44.728 flat angles P-C4'-P energy: -39.702 tors. eta vs tors. theta energy: -59.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -690.524313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.524313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.524313 (E_RNA) where: Base-Base interactions energy: -453.383 where: short stacking energy: -210.284 Base-Backbone interact. energy: 1.429 local terms energy: -238.570940 where: bonds (distance) C4'-P energy: -57.653 bonds (distance) P-C4' energy: -61.590 flat angles C4'-P-C4' energy: -52.012 flat angles P-C4'-P energy: -34.103 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: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -534.801177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.801177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.801177 (E_RNA) where: Base-Base interactions energy: -326.123 where: short stacking energy: -165.746 Base-Backbone interact. energy: 2.651 local terms energy: -211.328909 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -53.674 flat angles C4'-P-C4' energy: -51.045 flat angles P-C4'-P energy: -17.295 tors. eta vs tors. theta energy: -34.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -304.881357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.881357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.881357 (E_RNA) where: Base-Base interactions energy: -120.192 where: short stacking energy: -119.121 Base-Backbone interact. energy: 4.416 local terms energy: -189.105290 where: bonds (distance) C4'-P energy: -57.058 bonds (distance) P-C4' energy: -56.664 flat angles C4'-P-C4' energy: -46.645 flat angles P-C4'-P energy: -22.299 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1114.692679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.692679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.692679 (E_RNA) where: Base-Base interactions energy: -753.605 where: short stacking energy: -350.925 Base-Backbone interact. energy: -0.927 local terms energy: -360.160606 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -77.422 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -101.939 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: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1072.440603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.440603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.440603 (E_RNA) where: Base-Base interactions energy: -740.696 where: short stacking energy: -317.676 Base-Backbone interact. energy: -0.250 local terms energy: -331.495479 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -68.493 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -40.261 tors. eta vs tors. theta energy: -91.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1033.213401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.213401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.213401 (E_RNA) where: Base-Base interactions energy: -705.326 where: short stacking energy: -323.184 Base-Backbone interact. energy: -1.284 local terms energy: -326.603171 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -69.464 flat angles P-C4'-P energy: -39.476 tors. eta vs tors. theta energy: -88.627 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: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1004.026093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.026093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.026093 (E_RNA) where: Base-Base interactions energy: -684.738 where: short stacking energy: -301.942 Base-Backbone interact. energy: -0.893 local terms energy: -318.394227 where: bonds (distance) C4'-P energy: -63.666 bonds (distance) P-C4' energy: -62.714 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -38.346 tors. eta vs tors. theta energy: -85.936 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: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -930.027813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.027813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.027813 (E_RNA) where: Base-Base interactions energy: -643.014 where: short stacking energy: -281.598 Base-Backbone interact. energy: 1.840 local terms energy: -288.853164 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -60.250 flat angles C4'-P-C4' energy: -64.543 flat angles P-C4'-P energy: -36.331 tors. eta vs tors. theta energy: -70.592 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: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -889.122162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.122162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.122162 (E_RNA) where: Base-Base interactions energy: -613.710 where: short stacking energy: -244.126 Base-Backbone interact. energy: -1.815 local terms energy: -273.596981 where: bonds (distance) C4'-P energy: -56.659 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -53.553 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -57.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -826.319916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.319916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.319916 (E_RNA) where: Base-Base interactions energy: -555.834 where: short stacking energy: -252.117 Base-Backbone interact. energy: -0.532 local terms energy: -269.954410 where: bonds (distance) C4'-P energy: -57.187 bonds (distance) P-C4' energy: -48.843 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -37.024 tors. eta vs tors. theta energy: -64.343 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: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -682.620011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.620011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.620011 (E_RNA) where: Base-Base interactions energy: -422.640 where: short stacking energy: -179.799 Base-Backbone interact. energy: -0.755 local terms energy: -259.224894 where: bonds (distance) C4'-P energy: -62.561 bonds (distance) P-C4' energy: -54.653 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -38.845 tors. eta vs tors. theta energy: -39.947 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: 88 Temperature: 1.300000 Total energy: -541.768276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.768276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.768276 (E_RNA) where: Base-Base interactions energy: -321.785 where: short stacking energy: -149.672 Base-Backbone interact. energy: 1.729 local terms energy: -221.712365 where: bonds (distance) C4'-P energy: -40.423 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -50.263 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -18.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -347.867844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.867844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.867844 (E_RNA) where: Base-Base interactions energy: -191.525 where: short stacking energy: -120.671 Base-Backbone interact. energy: -0.616 local terms energy: -155.726134 where: bonds (distance) C4'-P energy: -47.805 bonds (distance) P-C4' energy: -38.790 flat angles C4'-P-C4' energy: -39.892 flat angles P-C4'-P energy: -28.353 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1121.574507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.574507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.574507 (E_RNA) where: Base-Base interactions energy: -752.635 where: short stacking energy: -350.187 Base-Backbone interact. energy: -0.752 local terms energy: -368.188233 where: bonds (distance) C4'-P energy: -74.093 bonds (distance) P-C4' energy: -64.742 flat angles C4'-P-C4' energy: -76.352 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -105.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1079.666568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.666568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.666568 (E_RNA) where: Base-Base interactions energy: -754.549 where: short stacking energy: -337.480 Base-Backbone interact. energy: -0.668 local terms energy: -324.449273 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -63.834 flat angles C4'-P-C4' energy: -69.308 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: -85.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1043.491159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.491159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.491159 (E_RNA) where: Base-Base interactions energy: -731.555 where: short stacking energy: -319.211 Base-Backbone interact. energy: -1.229 local terms energy: -310.707243 where: bonds (distance) C4'-P energy: -60.106 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -62.495 flat angles P-C4'-P energy: -45.660 tors. eta vs tors. theta energy: -86.097 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: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1017.512292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.512292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.512292 (E_RNA) where: Base-Base interactions energy: -699.814 where: short stacking energy: -291.146 Base-Backbone interact. energy: -2.109 local terms energy: -315.590040 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -65.649 flat angles C4'-P-C4' energy: -70.931 flat angles P-C4'-P energy: -41.759 tors. eta vs tors. theta energy: -78.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -949.368733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.368733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.368733 (E_RNA) where: Base-Base interactions energy: -650.362 where: short stacking energy: -286.164 Base-Backbone interact. energy: 3.852 local terms energy: -302.858989 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -54.663 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -70.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -900.392724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.392724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.392724 (E_RNA) where: Base-Base interactions energy: -604.647 where: short stacking energy: -266.224 Base-Backbone interact. energy: 1.532 local terms energy: -297.278240 where: bonds (distance) C4'-P energy: -61.844 bonds (distance) P-C4' energy: -55.098 flat angles C4'-P-C4' energy: -65.281 flat angles P-C4'-P energy: -49.494 tors. eta vs tors. theta energy: -65.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -825.599515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.599515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.599515 (E_RNA) where: Base-Base interactions energy: -574.287 where: short stacking energy: -247.825 Base-Backbone interact. energy: 2.089 local terms energy: -253.401382 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -46.340 flat angles C4'-P-C4' energy: -53.563 flat angles P-C4'-P energy: -34.099 tors. eta vs tors. theta energy: -60.882 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -604.029113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.029113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.029113 (E_RNA) where: Base-Base interactions energy: -375.456 where: short stacking energy: -176.801 Base-Backbone interact. energy: -2.365 local terms energy: -226.207420 where: bonds (distance) C4'-P energy: -53.563 bonds (distance) P-C4' energy: -52.726 flat angles C4'-P-C4' energy: -53.854 flat angles P-C4'-P energy: -30.015 tors. eta vs tors. theta energy: -36.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -622.950860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.950860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.950860 (E_RNA) where: Base-Base interactions energy: -392.515 where: short stacking energy: -166.660 Base-Backbone interact. energy: -0.718 local terms energy: -229.718224 where: bonds (distance) C4'-P energy: -57.107 bonds (distance) P-C4' energy: -46.835 flat angles C4'-P-C4' energy: -63.029 flat angles P-C4'-P energy: -31.747 tors. eta vs tors. theta energy: -31.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -350.129793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.129793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.129793 (E_RNA) where: Base-Base interactions energy: -175.388 where: short stacking energy: -101.797 Base-Backbone interact. energy: -1.797 local terms energy: -172.944700 where: bonds (distance) C4'-P energy: -51.821 bonds (distance) P-C4' energy: -57.428 flat angles C4'-P-C4' energy: -50.178 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1083.749030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.749030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.749030 (E_RNA) where: Base-Base interactions energy: -744.520 where: short stacking energy: -322.806 Base-Backbone interact. energy: -1.336 local terms energy: -337.892796 where: bonds (distance) C4'-P energy: -64.790 bonds (distance) P-C4' energy: -63.629 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -53.051 tors. eta vs tors. theta energy: -86.488 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: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1117.153356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.153356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.153356 (E_RNA) where: Base-Base interactions energy: -778.556 where: short stacking energy: -359.962 Base-Backbone interact. energy: -1.421 local terms energy: -337.176242 where: bonds (distance) C4'-P energy: -68.002 bonds (distance) P-C4' energy: -67.064 flat angles C4'-P-C4' energy: -59.658 flat angles P-C4'-P energy: -41.553 tors. eta vs tors. theta energy: -100.899 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: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1042.749029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.749029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.749029 (E_RNA) where: Base-Base interactions energy: -734.871 where: short stacking energy: -328.411 Base-Backbone interact. energy: -1.952 local terms energy: -305.926011 where: bonds (distance) C4'-P energy: -47.512 bonds (distance) P-C4' energy: -58.601 flat angles C4'-P-C4' energy: -73.245 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -87.058 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: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1017.044372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.044372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.044372 (E_RNA) where: Base-Base interactions energy: -679.006 where: short stacking energy: -301.787 Base-Backbone interact. energy: -1.532 local terms energy: -336.506558 where: bonds (distance) C4'-P energy: -65.588 bonds (distance) P-C4' energy: -64.375 flat angles C4'-P-C4' energy: -76.691 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -89.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -919.916748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.916748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.916748 (E_RNA) where: Base-Base interactions energy: -665.710 where: short stacking energy: -276.580 Base-Backbone interact. energy: 0.490 local terms energy: -254.696763 where: bonds (distance) C4'-P energy: -44.363 bonds (distance) P-C4' energy: -49.587 flat angles C4'-P-C4' energy: -64.852 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: -57.742 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: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -889.603984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.603984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.603984 (E_RNA) where: Base-Base interactions energy: -597.380 where: short stacking energy: -259.742 Base-Backbone interact. energy: -0.390 local terms energy: -291.834261 where: bonds (distance) C4'-P energy: -52.361 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -40.119 tors. eta vs tors. theta energy: -68.804 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: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -845.623817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.623817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.623817 (E_RNA) where: Base-Base interactions energy: -576.288 where: short stacking energy: -268.500 Base-Backbone interact. energy: -0.805 local terms energy: -268.530686 where: bonds (distance) C4'-P energy: -53.208 bonds (distance) P-C4' energy: -47.028 flat angles C4'-P-C4' energy: -60.844 flat angles P-C4'-P energy: -38.646 tors. eta vs tors. theta energy: -68.805 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: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -638.925237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.925237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.925237 (E_RNA) where: Base-Base interactions energy: -415.546 where: short stacking energy: -206.900 Base-Backbone interact. energy: 4.619 local terms energy: -227.998971 where: bonds (distance) C4'-P energy: -52.702 bonds (distance) P-C4' energy: -51.350 flat angles C4'-P-C4' energy: -65.297 flat angles P-C4'-P energy: -26.995 tors. eta vs tors. theta energy: -31.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -613.219250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.219250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.219250 (E_RNA) where: Base-Base interactions energy: -410.288 where: short stacking energy: -203.201 Base-Backbone interact. energy: 0.916 local terms energy: -203.846947 where: bonds (distance) C4'-P energy: -51.770 bonds (distance) P-C4' energy: -35.154 flat angles C4'-P-C4' energy: -59.003 flat angles P-C4'-P energy: -20.902 tors. eta vs tors. theta energy: -37.018 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: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -408.696020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.696020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.696020 (E_RNA) where: Base-Base interactions energy: -232.972 where: short stacking energy: -108.718 Base-Backbone interact. energy: -1.656 local terms energy: -174.068087 where: bonds (distance) C4'-P energy: -47.678 bonds (distance) P-C4' energy: -56.638 flat angles C4'-P-C4' energy: -53.443 flat angles P-C4'-P energy: -19.672 tors. eta vs tors. theta energy: 3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1101.051455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.051455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.051455 (E_RNA) where: Base-Base interactions energy: -763.140 where: short stacking energy: -331.973 Base-Backbone interact. energy: 0.094 local terms energy: -338.004883 where: bonds (distance) C4'-P energy: -57.617 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -77.426 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -87.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1105.905761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.905761 (E_RNA) where: Base-Base interactions energy: -758.995 where: short stacking energy: -355.093 Base-Backbone interact. energy: -3.459 local terms energy: -343.452330 where: bonds (distance) C4'-P energy: -60.223 bonds (distance) P-C4' energy: -65.292 flat angles C4'-P-C4' energy: -75.574 flat angles P-C4'-P energy: -46.005 tors. eta vs tors. theta energy: -96.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1106.215578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.215578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.215578 (E_RNA) where: Base-Base interactions energy: -757.821 where: short stacking energy: -339.612 Base-Backbone interact. energy: -1.867 local terms energy: -346.527825 where: bonds (distance) C4'-P energy: -66.718 bonds (distance) P-C4' energy: -70.732 flat angles C4'-P-C4' energy: -68.316 flat angles P-C4'-P energy: -46.101 tors. eta vs tors. theta energy: -94.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1012.420771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.420771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.420771 (E_RNA) where: Base-Base interactions energy: -692.400 where: short stacking energy: -299.182 Base-Backbone interact. energy: -3.092 local terms energy: -316.928258 where: bonds (distance) C4'-P energy: -61.194 bonds (distance) P-C4' energy: -54.556 flat angles C4'-P-C4' energy: -73.465 flat angles P-C4'-P energy: -43.007 tors. eta vs tors. theta energy: -84.707 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: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -907.615786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.615786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.615786 (E_RNA) where: Base-Base interactions energy: -609.380 where: short stacking energy: -258.001 Base-Backbone interact. energy: 0.108 local terms energy: -298.344186 where: bonds (distance) C4'-P energy: -48.685 bonds (distance) P-C4' energy: -69.500 flat angles C4'-P-C4' energy: -65.339 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -73.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -898.058708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.058708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.058708 (E_RNA) where: Base-Base interactions energy: -605.540 where: short stacking energy: -266.309 Base-Backbone interact. energy: 3.029 local terms energy: -295.547990 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -63.659 flat angles C4'-P-C4' energy: -58.793 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -66.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -841.444571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.444571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.444571 (E_RNA) where: Base-Base interactions energy: -588.082 where: short stacking energy: -242.876 Base-Backbone interact. energy: -0.063 local terms energy: -253.298650 where: bonds (distance) C4'-P energy: -48.559 bonds (distance) P-C4' energy: -59.255 flat angles C4'-P-C4' energy: -51.546 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: -59.874 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: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -647.463211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.463211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.463211 (E_RNA) where: Base-Base interactions energy: -398.899 where: short stacking energy: -182.653 Base-Backbone interact. energy: -0.145 local terms energy: -248.418883 where: bonds (distance) C4'-P energy: -50.235 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -65.434 flat angles P-C4'-P energy: -28.948 tors. eta vs tors. theta energy: -42.691 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: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -606.963973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.963973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.963973 (E_RNA) where: Base-Base interactions energy: -381.906 where: short stacking energy: -182.765 Base-Backbone interact. energy: -1.407 local terms energy: -223.651861 where: bonds (distance) C4'-P energy: -47.387 bonds (distance) P-C4' energy: -55.609 flat angles C4'-P-C4' energy: -49.356 flat angles P-C4'-P energy: -35.878 tors. eta vs tors. theta energy: -35.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -338.276407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.276407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.276407 (E_RNA) where: Base-Base interactions energy: -167.651 where: short stacking energy: -93.828 Base-Backbone interact. energy: 1.578 local terms energy: -172.202691 where: bonds (distance) C4'-P energy: -48.637 bonds (distance) P-C4' energy: -54.927 flat angles C4'-P-C4' energy: -52.113 flat angles P-C4'-P energy: -25.307 tors. eta vs tors. theta energy: 8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1125.977431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.977431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.977431 (E_RNA) where: Base-Base interactions energy: -775.651 where: short stacking energy: -345.847 Base-Backbone interact. energy: -0.880 local terms energy: -349.446266 where: bonds (distance) C4'-P energy: -69.938 bonds (distance) P-C4' energy: -64.816 flat angles C4'-P-C4' energy: -75.746 flat angles P-C4'-P energy: -39.274 tors. eta vs tors. theta energy: -99.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1090.927936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.927936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.927936 (E_RNA) where: Base-Base interactions energy: -773.148 where: short stacking energy: -331.457 Base-Backbone interact. energy: -1.004 local terms energy: -316.775622 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -65.295 flat angles C4'-P-C4' energy: -70.457 flat angles P-C4'-P energy: -35.595 tors. eta vs tors. theta energy: -85.609 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: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1107.378383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.378383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.378383 (E_RNA) where: Base-Base interactions energy: -747.839 where: short stacking energy: -345.502 Base-Backbone interact. energy: -1.682 local terms energy: -357.856712 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -68.645 flat angles C4'-P-C4' energy: -74.475 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -95.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -977.715844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.715844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.715844 (E_RNA) where: Base-Base interactions energy: -673.899 where: short stacking energy: -299.930 Base-Backbone interact. energy: -2.491 local terms energy: -301.325339 where: bonds (distance) C4'-P energy: -57.501 bonds (distance) P-C4' energy: -62.860 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -43.087 tors. eta vs tors. theta energy: -68.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -920.265621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.265621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.265621 (E_RNA) where: Base-Base interactions energy: -627.545 where: short stacking energy: -282.175 Base-Backbone interact. energy: 1.812 local terms energy: -294.532425 where: bonds (distance) C4'-P energy: -64.092 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -64.895 flat angles P-C4'-P energy: -36.410 tors. eta vs tors. theta energy: -67.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -881.948500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.948500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.948500 (E_RNA) where: Base-Base interactions energy: -598.029 where: short stacking energy: -268.330 Base-Backbone interact. energy: -1.148 local terms energy: -282.770856 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -51.961 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -66.698 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: 92 Temperature: 1.200000 Total energy: -843.154505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.154505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.154505 (E_RNA) where: Base-Base interactions energy: -572.419 where: short stacking energy: -262.398 Base-Backbone interact. energy: 1.017 local terms energy: -271.751891 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -41.298 flat angles C4'-P-C4' energy: -62.277 flat angles P-C4'-P energy: -38.963 tors. eta vs tors. theta energy: -68.566 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: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -574.456304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.456304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.456304 (E_RNA) where: Base-Base interactions energy: -377.453 where: short stacking energy: -176.745 Base-Backbone interact. energy: -1.789 local terms energy: -195.213716 where: bonds (distance) C4'-P energy: -43.295 bonds (distance) P-C4' energy: -56.590 flat angles C4'-P-C4' energy: -53.481 flat angles P-C4'-P energy: -23.948 tors. eta vs tors. theta energy: -17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -613.067735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.067735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.067735 (E_RNA) where: Base-Base interactions energy: -395.926 where: short stacking energy: -195.084 Base-Backbone interact. energy: -0.510 local terms energy: -216.631426 where: bonds (distance) C4'-P energy: -42.219 bonds (distance) P-C4' energy: -47.973 flat angles C4'-P-C4' energy: -54.020 flat angles P-C4'-P energy: -38.631 tors. eta vs tors. theta energy: -33.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -363.410619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.410619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.410619 (E_RNA) where: Base-Base interactions energy: -182.851 where: short stacking energy: -103.468 Base-Backbone interact. energy: -1.072 local terms energy: -179.488046 where: bonds (distance) C4'-P energy: -58.486 bonds (distance) P-C4' energy: -51.451 flat angles C4'-P-C4' energy: -51.637 flat angles P-C4'-P energy: -22.859 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: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1120.219756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.219756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.219756 (E_RNA) where: Base-Base interactions energy: -769.332 where: short stacking energy: -345.351 Base-Backbone interact. energy: 0.298 local terms energy: -351.185727 where: bonds (distance) C4'-P energy: -65.546 bonds (distance) P-C4' energy: -60.151 flat angles C4'-P-C4' energy: -75.087 flat angles P-C4'-P energy: -53.485 tors. eta vs tors. theta energy: -96.917 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: 93 Temperature: 0.950000 Total energy: -1097.743678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.743678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.743678 (E_RNA) where: Base-Base interactions energy: -768.653 where: short stacking energy: -327.907 Base-Backbone interact. energy: -2.047 local terms energy: -327.043531 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -60.664 flat angles C4'-P-C4' energy: -68.822 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -86.935 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: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1108.790768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.790768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.790768 (E_RNA) where: Base-Base interactions energy: -774.690 where: short stacking energy: -335.794 Base-Backbone interact. energy: 0.370 local terms energy: -334.470565 where: bonds (distance) C4'-P energy: -53.786 bonds (distance) P-C4' energy: -61.086 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -102.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1017.249613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.249613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.249613 (E_RNA) where: Base-Base interactions energy: -704.539 where: short stacking energy: -299.316 Base-Backbone interact. energy: 0.805 local terms energy: -313.515968 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: -80.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -903.298724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.298724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.298724 (E_RNA) where: Base-Base interactions energy: -601.761 where: short stacking energy: -295.143 Base-Backbone interact. energy: -0.442 local terms energy: -301.095985 where: bonds (distance) C4'-P energy: -53.483 bonds (distance) P-C4' energy: -59.440 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -42.973 tors. eta vs tors. theta energy: -74.795 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: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -910.203605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.203605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.203605 (E_RNA) where: Base-Base interactions energy: -626.332 where: short stacking energy: -280.414 Base-Backbone interact. energy: -0.524 local terms energy: -283.347439 where: bonds (distance) C4'-P energy: -49.035 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -66.974 flat angles P-C4'-P energy: -42.896 tors. eta vs tors. theta energy: -67.687 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: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -861.173835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.173835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.173835 (E_RNA) where: Base-Base interactions energy: -576.588 where: short stacking energy: -263.785 Base-Backbone interact. energy: -0.962 local terms energy: -283.623233 where: bonds (distance) C4'-P energy: -56.360 bonds (distance) P-C4' energy: -57.709 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -64.287 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: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -617.742070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.742070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.742070 (E_RNA) where: Base-Base interactions energy: -389.833 where: short stacking energy: -179.529 Base-Backbone interact. energy: -0.635 local terms energy: -227.273454 where: bonds (distance) C4'-P energy: -51.258 bonds (distance) P-C4' energy: -47.016 flat angles C4'-P-C4' energy: -62.163 flat angles P-C4'-P energy: -32.395 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: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -573.390506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.390506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.390506 (E_RNA) where: Base-Base interactions energy: -337.274 where: short stacking energy: -177.619 Base-Backbone interact. energy: 0.471 local terms energy: -236.588094 where: bonds (distance) C4'-P energy: -50.877 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -57.952 flat angles P-C4'-P energy: -30.487 tors. eta vs tors. theta energy: -31.596 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: 93 Temperature: 1.350000 Total energy: -372.200471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.200471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.200471 (E_RNA) where: Base-Base interactions energy: -218.272 where: short stacking energy: -120.441 Base-Backbone interact. energy: -0.258 local terms energy: -153.670230 where: bonds (distance) C4'-P energy: -47.481 bonds (distance) P-C4' energy: -53.638 flat angles C4'-P-C4' energy: -36.551 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1111.185643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.185643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.185643 (E_RNA) where: Base-Base interactions energy: -760.058 where: short stacking energy: -342.563 Base-Backbone interact. energy: -1.588 local terms energy: -349.540418 where: bonds (distance) C4'-P energy: -65.311 bonds (distance) P-C4' energy: -71.057 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -50.781 tors. eta vs tors. theta energy: -92.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1071.222976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.222976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.222976 (E_RNA) where: Base-Base interactions energy: -735.351 where: short stacking energy: -317.002 Base-Backbone interact. energy: -1.572 local terms energy: -334.299812 where: bonds (distance) C4'-P energy: -57.741 bonds (distance) P-C4' energy: -66.233 flat angles C4'-P-C4' energy: -72.572 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -88.910 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: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1102.890681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.890681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.890681 (E_RNA) where: Base-Base interactions energy: -767.192 where: short stacking energy: -338.362 Base-Backbone interact. energy: -0.523 local terms energy: -335.175550 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -63.340 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -44.765 tors. eta vs tors. theta energy: -94.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1024.193145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.193145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.193145 (E_RNA) where: Base-Base interactions energy: -707.177 where: short stacking energy: -300.979 Base-Backbone interact. energy: -0.921 local terms energy: -316.094734 where: bonds (distance) C4'-P energy: -56.143 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -70.276 flat angles P-C4'-P energy: -51.235 tors. eta vs tors. theta energy: -77.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -939.486288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.486288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.486288 (E_RNA) where: Base-Base interactions energy: -639.735 where: short stacking energy: -289.328 Base-Backbone interact. energy: 3.576 local terms energy: -303.327082 where: bonds (distance) C4'-P energy: -57.890 bonds (distance) P-C4' energy: -69.477 flat angles C4'-P-C4' energy: -59.109 flat angles P-C4'-P energy: -42.420 tors. eta vs tors. theta energy: -74.432 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -842.515003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.515003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.515003 (E_RNA) where: Base-Base interactions energy: -574.047 where: short stacking energy: -264.747 Base-Backbone interact. energy: 0.233 local terms energy: -268.700144 where: bonds (distance) C4'-P energy: -50.072 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -56.213 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -55.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -865.593155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.593155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.593155 (E_RNA) where: Base-Base interactions energy: -575.487 where: short stacking energy: -259.265 Base-Backbone interact. energy: 1.736 local terms energy: -291.842070 where: bonds (distance) C4'-P energy: -61.432 bonds (distance) P-C4' energy: -64.535 flat angles C4'-P-C4' energy: -66.219 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -63.359 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: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -639.255542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.255542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.255542 (E_RNA) where: Base-Base interactions energy: -414.818 where: short stacking energy: -187.150 Base-Backbone interact. energy: -0.783 local terms energy: -223.654784 where: bonds (distance) C4'-P energy: -38.745 bonds (distance) P-C4' energy: -51.507 flat angles C4'-P-C4' energy: -53.764 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -31.956 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: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -560.189591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.189591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.189591 (E_RNA) where: Base-Base interactions energy: -357.292 where: short stacking energy: -172.946 Base-Backbone interact. energy: -0.528 local terms energy: -202.369587 where: bonds (distance) C4'-P energy: -41.158 bonds (distance) P-C4' energy: -54.125 flat angles C4'-P-C4' energy: -46.944 flat angles P-C4'-P energy: -33.582 tors. eta vs tors. theta energy: -26.560 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: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -347.197253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.197253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.197253 (E_RNA) where: Base-Base interactions energy: -177.124 where: short stacking energy: -106.007 Base-Backbone interact. energy: -0.464 local terms energy: -169.608773 where: bonds (distance) C4'-P energy: -38.909 bonds (distance) P-C4' energy: -49.568 flat angles C4'-P-C4' energy: -52.401 flat angles P-C4'-P energy: -30.163 tors. eta vs tors. theta energy: 1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1115.852095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.852095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.852095 (E_RNA) where: Base-Base interactions energy: -760.739 where: short stacking energy: -344.386 Base-Backbone interact. energy: 0.466 local terms energy: -355.578472 where: bonds (distance) C4'-P energy: -71.257 bonds (distance) P-C4' energy: -69.011 flat angles C4'-P-C4' energy: -71.056 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -91.715 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: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1118.328619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.328619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.328619 (E_RNA) where: Base-Base interactions energy: -772.448 where: short stacking energy: -331.446 Base-Backbone interact. energy: -1.145 local terms energy: -344.735560 where: bonds (distance) C4'-P energy: -61.727 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -73.412 flat angles P-C4'-P energy: -50.716 tors. eta vs tors. theta energy: -96.173 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: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1042.424135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.424135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.424135 (E_RNA) where: Base-Base interactions energy: -745.085 where: short stacking energy: -301.601 Base-Backbone interact. energy: -1.363 local terms energy: -295.976427 where: bonds (distance) C4'-P energy: -50.091 bonds (distance) P-C4' energy: -48.943 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -45.509 tors. eta vs tors. theta energy: -80.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1000.728253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.728253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.728253 (E_RNA) where: Base-Base interactions energy: -693.413 where: short stacking energy: -276.655 Base-Backbone interact. energy: -1.601 local terms energy: -305.714201 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -58.547 flat angles C4'-P-C4' energy: -72.109 flat angles P-C4'-P energy: -32.951 tors. eta vs tors. theta energy: -83.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -953.198325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.198325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.198325 (E_RNA) where: Base-Base interactions energy: -664.686 where: short stacking energy: -277.120 Base-Backbone interact. energy: -1.561 local terms energy: -286.951719 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -51.983 flat angles C4'-P-C4' energy: -64.501 flat angles P-C4'-P energy: -39.915 tors. eta vs tors. theta energy: -75.772 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: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -950.892549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.892549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.892549 (E_RNA) where: Base-Base interactions energy: -674.763 where: short stacking energy: -306.465 Base-Backbone interact. energy: -1.882 local terms energy: -274.247272 where: bonds (distance) C4'-P energy: -55.831 bonds (distance) P-C4' energy: -43.124 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -32.726 tors. eta vs tors. theta energy: -77.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -812.197734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.197734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.197734 (E_RNA) where: Base-Base interactions energy: -541.603 where: short stacking energy: -255.400 Base-Backbone interact. energy: -0.038 local terms energy: -270.557402 where: bonds (distance) C4'-P energy: -59.480 bonds (distance) P-C4' energy: -50.353 flat angles C4'-P-C4' energy: -61.241 flat angles P-C4'-P energy: -34.065 tors. eta vs tors. theta energy: -65.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -652.792028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.792028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.792028 (E_RNA) where: Base-Base interactions energy: -409.945 where: short stacking energy: -198.389 Base-Backbone interact. energy: 1.260 local terms energy: -244.107595 where: bonds (distance) C4'-P energy: -57.345 bonds (distance) P-C4' energy: -55.498 flat angles C4'-P-C4' energy: -54.372 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -43.907 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: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -632.360217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.360217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.360217 (E_RNA) where: Base-Base interactions energy: -408.479 where: short stacking energy: -179.618 Base-Backbone interact. energy: -0.266 local terms energy: -223.615938 where: bonds (distance) C4'-P energy: -57.450 bonds (distance) P-C4' energy: -46.918 flat angles C4'-P-C4' energy: -52.807 flat angles P-C4'-P energy: -34.512 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: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -309.627406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.627406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.627406 (E_RNA) where: Base-Base interactions energy: -134.445 where: short stacking energy: -100.859 Base-Backbone interact. energy: 0.668 local terms energy: -175.849941 where: bonds (distance) C4'-P energy: -51.195 bonds (distance) P-C4' energy: -55.937 flat angles C4'-P-C4' energy: -55.353 flat angles P-C4'-P energy: -17.562 tors. eta vs tors. theta energy: 4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1143.305898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.305898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.305898 (E_RNA) where: Base-Base interactions energy: -791.135 where: short stacking energy: -352.279 Base-Backbone interact. energy: -0.307 local terms energy: -351.863628 where: bonds (distance) C4'-P energy: -56.639 bonds (distance) P-C4' energy: -64.763 flat angles C4'-P-C4' energy: -74.347 flat angles P-C4'-P energy: -57.170 tors. eta vs tors. theta energy: -98.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1070.467990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.467990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.467990 (E_RNA) where: Base-Base interactions energy: -746.239 where: short stacking energy: -331.662 Base-Backbone interact. energy: -1.118 local terms energy: -323.110838 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -61.419 flat angles C4'-P-C4' energy: -73.197 flat angles P-C4'-P energy: -41.212 tors. eta vs tors. theta energy: -91.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1024.297535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.297535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.297535 (E_RNA) where: Base-Base interactions energy: -713.596 where: short stacking energy: -309.667 Base-Backbone interact. energy: -0.554 local terms energy: -310.147388 where: bonds (distance) C4'-P energy: -57.515 bonds (distance) P-C4' energy: -62.703 flat angles C4'-P-C4' energy: -65.571 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -82.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -947.313166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.313166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.313166 (E_RNA) where: Base-Base interactions energy: -652.626 where: short stacking energy: -292.944 Base-Backbone interact. energy: -2.359 local terms energy: -292.327466 where: bonds (distance) C4'-P energy: -61.585 bonds (distance) P-C4' energy: -56.627 flat angles C4'-P-C4' energy: -59.180 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -71.681 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: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -964.766877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.766877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.766877 (E_RNA) where: Base-Base interactions energy: -661.371 where: short stacking energy: -280.165 Base-Backbone interact. energy: -1.860 local terms energy: -301.535913 where: bonds (distance) C4'-P energy: -61.504 bonds (distance) P-C4' energy: -66.104 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -40.708 tors. eta vs tors. theta energy: -71.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -918.385574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.385574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.385574 (E_RNA) where: Base-Base interactions energy: -618.847 where: short stacking energy: -286.850 Base-Backbone interact. energy: -2.323 local terms energy: -297.215698 where: bonds (distance) C4'-P energy: -61.740 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -66.523 flat angles P-C4'-P energy: -35.007 tors. eta vs tors. theta energy: -75.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -822.117600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.117600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.117600 (E_RNA) where: Base-Base interactions energy: -558.503 where: short stacking energy: -263.728 Base-Backbone interact. energy: -0.874 local terms energy: -262.740295 where: bonds (distance) C4'-P energy: -40.157 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -57.536 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -63.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -665.833918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.833918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.833918 (E_RNA) where: Base-Base interactions energy: -418.942 where: short stacking energy: -218.401 Base-Backbone interact. energy: 4.135 local terms energy: -251.026581 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -54.343 flat angles C4'-P-C4' energy: -58.802 flat angles P-C4'-P energy: -36.050 tors. eta vs tors. theta energy: -48.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -633.833812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.833812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.833812 (E_RNA) where: Base-Base interactions energy: -408.092 where: short stacking energy: -183.438 Base-Backbone interact. energy: -1.706 local terms energy: -224.035882 where: bonds (distance) C4'-P energy: -48.125 bonds (distance) P-C4' energy: -59.544 flat angles C4'-P-C4' energy: -42.205 flat angles P-C4'-P energy: -27.510 tors. eta vs tors. theta energy: -46.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -288.339569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.339569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.339569 (E_RNA) where: Base-Base interactions energy: -128.091 where: short stacking energy: -91.405 Base-Backbone interact. energy: 0.593 local terms energy: -160.841640 where: bonds (distance) C4'-P energy: -53.897 bonds (distance) P-C4' energy: -48.862 flat angles C4'-P-C4' energy: -38.932 flat angles P-C4'-P energy: -20.933 tors. eta vs tors. theta energy: 1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1126.289373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.289373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.289373 (E_RNA) where: Base-Base interactions energy: -784.626 where: short stacking energy: -349.883 Base-Backbone interact. energy: -0.286 local terms energy: -341.377124 where: bonds (distance) C4'-P energy: -54.006 bonds (distance) P-C4' energy: -66.259 flat angles C4'-P-C4' energy: -71.542 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -98.816 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: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1087.623664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.623664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.623664 (E_RNA) where: Base-Base interactions energy: -747.845 where: short stacking energy: -350.404 Base-Backbone interact. energy: -2.333 local terms energy: -337.445608 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -67.649 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -98.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1048.009515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.009515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.009515 (E_RNA) where: Base-Base interactions energy: -722.740 where: short stacking energy: -319.241 Base-Backbone interact. energy: 0.736 local terms energy: -326.005353 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -58.716 flat angles C4'-P-C4' energy: -71.405 flat angles P-C4'-P energy: -49.800 tors. eta vs tors. theta energy: -89.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -985.909037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.909037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.909037 (E_RNA) where: Base-Base interactions energy: -683.086 where: short stacking energy: -289.233 Base-Backbone interact. energy: -0.749 local terms energy: -302.074188 where: bonds (distance) C4'-P energy: -51.982 bonds (distance) P-C4' energy: -57.015 flat angles C4'-P-C4' energy: -73.365 flat angles P-C4'-P energy: -45.525 tors. eta vs tors. theta energy: -74.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -914.720192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.720192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.720192 (E_RNA) where: Base-Base interactions energy: -621.151 where: short stacking energy: -270.311 Base-Backbone interact. energy: -2.201 local terms energy: -291.368142 where: bonds (distance) C4'-P energy: -56.601 bonds (distance) P-C4' energy: -57.529 flat angles C4'-P-C4' energy: -68.946 flat angles P-C4'-P energy: -30.485 tors. eta vs tors. theta energy: -77.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -916.943849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.943849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.943849 (E_RNA) where: Base-Base interactions energy: -616.484 where: short stacking energy: -283.401 Base-Backbone interact. energy: -0.836 local terms energy: -299.624034 where: bonds (distance) C4'-P energy: -50.290 bonds (distance) P-C4' energy: -63.217 flat angles C4'-P-C4' energy: -65.105 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -78.587 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: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -805.436871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.436871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.436871 (E_RNA) where: Base-Base interactions energy: -557.335 where: short stacking energy: -255.630 Base-Backbone interact. energy: -0.514 local terms energy: -247.588441 where: bonds (distance) C4'-P energy: -55.066 bonds (distance) P-C4' energy: -49.780 flat angles C4'-P-C4' energy: -52.081 flat angles P-C4'-P energy: -35.820 tors. eta vs tors. theta energy: -54.842 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: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -659.948539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.948539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.948539 (E_RNA) where: Base-Base interactions energy: -439.452 where: short stacking energy: -199.025 Base-Backbone interact. energy: 1.258 local terms energy: -221.754520 where: bonds (distance) C4'-P energy: -30.290 bonds (distance) P-C4' energy: -41.795 flat angles C4'-P-C4' energy: -63.198 flat angles P-C4'-P energy: -39.634 tors. eta vs tors. theta energy: -46.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -559.375712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.375712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.375712 (E_RNA) where: Base-Base interactions energy: -336.836 where: short stacking energy: -160.037 Base-Backbone interact. energy: 1.026 local terms energy: -223.565723 where: bonds (distance) C4'-P energy: -61.919 bonds (distance) P-C4' energy: -57.076 flat angles C4'-P-C4' energy: -49.860 flat angles P-C4'-P energy: -30.772 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: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -338.153196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.153196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.153196 (E_RNA) where: Base-Base interactions energy: -179.039 where: short stacking energy: -84.974 Base-Backbone interact. energy: -0.501 local terms energy: -158.612732 where: bonds (distance) C4'-P energy: -41.897 bonds (distance) P-C4' energy: -50.836 flat angles C4'-P-C4' energy: -46.714 flat angles P-C4'-P energy: -34.067 tors. eta vs tors. theta energy: 14.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1139.378492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.378492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.378492 (E_RNA) where: Base-Base interactions energy: -780.475 where: short stacking energy: -365.475 Base-Backbone interact. energy: -0.753 local terms energy: -358.150197 where: bonds (distance) C4'-P energy: -65.460 bonds (distance) P-C4' energy: -68.025 flat angles C4'-P-C4' energy: -75.385 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -98.214 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: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1119.191472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.191472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.191472 (E_RNA) where: Base-Base interactions energy: -772.593 where: short stacking energy: -350.147 Base-Backbone interact. energy: 0.392 local terms energy: -346.990296 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -67.118 flat angles C4'-P-C4' energy: -67.618 flat angles P-C4'-P energy: -43.016 tors. eta vs tors. theta energy: -99.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1039.434094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.434094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.434094 (E_RNA) where: Base-Base interactions energy: -733.542 where: short stacking energy: -311.360 Base-Backbone interact. energy: -1.302 local terms energy: -304.590502 where: bonds (distance) C4'-P energy: -61.367 bonds (distance) P-C4' energy: -55.409 flat angles C4'-P-C4' energy: -63.600 flat angles P-C4'-P energy: -44.308 tors. eta vs tors. theta energy: -79.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1003.041319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.041319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.041319 (E_RNA) where: Base-Base interactions energy: -673.020 where: short stacking energy: -312.218 Base-Backbone interact. energy: -1.400 local terms energy: -328.621696 where: bonds (distance) C4'-P energy: -70.036 bonds (distance) P-C4' energy: -60.974 flat angles C4'-P-C4' energy: -61.923 flat angles P-C4'-P energy: -49.904 tors. eta vs tors. theta energy: -85.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -912.986883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.986883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.986883 (E_RNA) where: Base-Base interactions energy: -625.410 where: short stacking energy: -274.654 Base-Backbone interact. energy: -1.888 local terms energy: -285.688292 where: bonds (distance) C4'-P energy: -41.827 bonds (distance) P-C4' energy: -60.168 flat angles C4'-P-C4' energy: -63.883 flat angles P-C4'-P energy: -47.939 tors. eta vs tors. theta energy: -71.872 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: 98 Temperature: 1.150000 Total energy: -893.011670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.011670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.011670 (E_RNA) where: Base-Base interactions energy: -596.562 where: short stacking energy: -256.071 Base-Backbone interact. energy: -0.663 local terms energy: -295.787480 where: bonds (distance) C4'-P energy: -50.975 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -68.651 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -65.435 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: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -808.754224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.754224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.754224 (E_RNA) where: Base-Base interactions energy: -552.388 where: short stacking energy: -255.691 Base-Backbone interact. energy: -0.560 local terms energy: -255.806505 where: bonds (distance) C4'-P energy: -48.844 bonds (distance) P-C4' energy: -49.515 flat angles C4'-P-C4' energy: -61.430 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -56.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -688.784983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.784983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.784983 (E_RNA) where: Base-Base interactions energy: -460.515 where: short stacking energy: -208.014 Base-Backbone interact. energy: 2.697 local terms energy: -230.966923 where: bonds (distance) C4'-P energy: -53.783 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -48.325 flat angles P-C4'-P energy: -32.227 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: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -559.996825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.996825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.996825 (E_RNA) where: Base-Base interactions energy: -349.739 where: short stacking energy: -144.724 Base-Backbone interact. energy: 0.103 local terms energy: -210.361087 where: bonds (distance) C4'-P energy: -47.539 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -43.309 flat angles P-C4'-P energy: -42.419 tors. eta vs tors. theta energy: -20.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -315.472388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.472388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.472388 (E_RNA) where: Base-Base interactions energy: -114.739 where: short stacking energy: -84.146 Base-Backbone interact. energy: -1.631 local terms energy: -199.102098 where: bonds (distance) C4'-P energy: -59.305 bonds (distance) P-C4' energy: -53.701 flat angles C4'-P-C4' energy: -55.728 flat angles P-C4'-P energy: -34.207 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: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1114.145733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.145733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.145733 (E_RNA) where: Base-Base interactions energy: -768.439 where: short stacking energy: -353.768 Base-Backbone interact. energy: -1.271 local terms energy: -344.435601 where: bonds (distance) C4'-P energy: -58.425 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -70.355 flat angles P-C4'-P energy: -46.579 tors. eta vs tors. theta energy: -97.215 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1094.393369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.393369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.393369 (E_RNA) where: Base-Base interactions energy: -755.536 where: short stacking energy: -329.265 Base-Backbone interact. energy: -1.251 local terms energy: -337.605668 where: bonds (distance) C4'-P energy: -69.450 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -67.081 flat angles P-C4'-P energy: -49.026 tors. eta vs tors. theta energy: -94.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1055.140439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.140439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.140439 (E_RNA) where: Base-Base interactions energy: -721.184 where: short stacking energy: -327.017 Base-Backbone interact. energy: 1.870 local terms energy: -335.826774 where: bonds (distance) C4'-P energy: -57.013 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -70.392 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -93.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -988.978027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.978027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.978027 (E_RNA) where: Base-Base interactions energy: -675.084 where: short stacking energy: -308.724 Base-Backbone interact. energy: -0.789 local terms energy: -313.105169 where: bonds (distance) C4'-P energy: -61.078 bonds (distance) P-C4' energy: -57.332 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -84.400 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: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -912.315074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.315074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.315074 (E_RNA) where: Base-Base interactions energy: -618.083 where: short stacking energy: -269.452 Base-Backbone interact. energy: -1.793 local terms energy: -292.439420 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -37.980 tors. eta vs tors. theta energy: -71.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -835.550454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.550454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.550454 (E_RNA) where: Base-Base interactions energy: -569.789 where: short stacking energy: -252.167 Base-Backbone interact. energy: -0.767 local terms energy: -264.994693 where: bonds (distance) C4'-P energy: -62.565 bonds (distance) P-C4' energy: -51.987 flat angles C4'-P-C4' energy: -55.569 flat angles P-C4'-P energy: -43.028 tors. eta vs tors. theta energy: -51.845 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: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -835.677032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.677032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.677032 (E_RNA) where: Base-Base interactions energy: -579.504 where: short stacking energy: -247.202 Base-Backbone interact. energy: -0.299 local terms energy: -255.874895 where: bonds (distance) C4'-P energy: -49.409 bonds (distance) P-C4' energy: -52.995 flat angles C4'-P-C4' energy: -62.428 flat angles P-C4'-P energy: -28.698 tors. eta vs tors. theta energy: -62.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -712.944352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.944352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.944352 (E_RNA) where: Base-Base interactions energy: -483.166 where: short stacking energy: -211.352 Base-Backbone interact. energy: -0.674 local terms energy: -229.103722 where: bonds (distance) C4'-P energy: -47.408 bonds (distance) P-C4' energy: -52.597 flat angles C4'-P-C4' energy: -46.017 flat angles P-C4'-P energy: -33.724 tors. eta vs tors. theta energy: -49.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -542.613471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.613471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.613471 (E_RNA) where: Base-Base interactions energy: -355.436 where: short stacking energy: -160.050 Base-Backbone interact. energy: 1.417 local terms energy: -188.594791 where: bonds (distance) C4'-P energy: -44.520 bonds (distance) P-C4' energy: -53.817 flat angles C4'-P-C4' energy: -37.559 flat angles P-C4'-P energy: -31.566 tors. eta vs tors. theta energy: -21.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -285.301108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.301108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.301108 (E_RNA) where: Base-Base interactions energy: -121.285 where: short stacking energy: -100.659 Base-Backbone interact. energy: -1.240 local terms energy: -162.776231 where: bonds (distance) C4'-P energy: -53.267 bonds (distance) P-C4' energy: -49.802 flat angles C4'-P-C4' energy: -43.512 flat angles P-C4'-P energy: -15.247 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1104.332011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.332011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.332011 (E_RNA) where: Base-Base interactions energy: -766.385 where: short stacking energy: -333.090 Base-Backbone interact. energy: -1.696 local terms energy: -336.251289 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -68.426 flat angles C4'-P-C4' energy: -73.042 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: -94.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1117.814335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.814335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.814335 (E_RNA) where: Base-Base interactions energy: -785.282 where: short stacking energy: -348.000 Base-Backbone interact. energy: -1.211 local terms energy: -331.321195 where: bonds (distance) C4'-P energy: -44.740 bonds (distance) P-C4' energy: -64.991 flat angles C4'-P-C4' energy: -74.810 flat angles P-C4'-P energy: -50.240 tors. eta vs tors. theta energy: -96.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1027.737547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.737547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.737547 (E_RNA) where: Base-Base interactions energy: -715.250 where: short stacking energy: -308.710 Base-Backbone interact. energy: -3.397 local terms energy: -309.089906 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: -79.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -969.821852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.821852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.821852 (E_RNA) where: Base-Base interactions energy: -665.639 where: short stacking energy: -295.138 Base-Backbone interact. energy: -1.233 local terms energy: -302.950451 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -54.686 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -36.338 tors. eta vs tors. theta energy: -76.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -849.943756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.943756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.943756 (E_RNA) where: Base-Base interactions energy: -548.158 where: short stacking energy: -255.797 Base-Backbone interact. energy: -0.286 local terms energy: -301.499837 where: bonds (distance) C4'-P energy: -73.138 bonds (distance) P-C4' energy: -61.170 flat angles C4'-P-C4' energy: -66.453 flat angles P-C4'-P energy: -40.010 tors. eta vs tors. theta energy: -60.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -870.859599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.859599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.859599 (E_RNA) where: Base-Base interactions energy: -611.199 where: short stacking energy: -293.215 Base-Backbone interact. energy: -0.717 local terms energy: -258.943986 where: bonds (distance) C4'-P energy: -43.762 bonds (distance) P-C4' energy: -49.798 flat angles C4'-P-C4' energy: -58.288 flat angles P-C4'-P energy: -36.705 tors. eta vs tors. theta energy: -70.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -840.800466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.800466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.800466 (E_RNA) where: Base-Base interactions energy: -586.970 where: short stacking energy: -257.324 Base-Backbone interact. energy: 1.961 local terms energy: -255.791013 where: bonds (distance) C4'-P energy: -60.267 bonds (distance) P-C4' energy: -51.703 flat angles C4'-P-C4' energy: -60.149 flat angles P-C4'-P energy: -19.225 tors. eta vs tors. theta energy: -64.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -710.055472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.055472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.055472 (E_RNA) where: Base-Base interactions energy: -472.142 where: short stacking energy: -206.335 Base-Backbone interact. energy: -0.880 local terms energy: -237.033021 where: bonds (distance) C4'-P energy: -50.714 bonds (distance) P-C4' energy: -52.877 flat angles C4'-P-C4' energy: -55.285 flat angles P-C4'-P energy: -31.914 tors. eta vs tors. theta energy: -46.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -518.718843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.718843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.718843 (E_RNA) where: Base-Base interactions energy: -319.774 where: short stacking energy: -148.209 Base-Backbone interact. energy: -1.071 local terms energy: -197.873052 where: bonds (distance) C4'-P energy: -55.381 bonds (distance) P-C4' energy: -55.208 flat angles C4'-P-C4' energy: -40.467 flat angles P-C4'-P energy: -34.416 tors. eta vs tors. theta energy: -12.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -283.702960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.702960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.702960 (E_RNA) where: Base-Base interactions energy: -88.709 where: short stacking energy: -79.353 Base-Backbone interact. energy: 4.047 local terms energy: -199.040379 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -53.298 flat angles C4'-P-C4' energy: -49.952 flat angles P-C4'-P energy: -29.744 tors. eta vs tors. theta energy: -7.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1109.201554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.201554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.201554 (E_RNA) where: Base-Base interactions energy: -765.547 where: short stacking energy: -336.445 Base-Backbone interact. energy: -0.555 local terms energy: -343.099189 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -67.737 flat angles C4'-P-C4' energy: -70.441 flat angles P-C4'-P energy: -50.447 tors. eta vs tors. theta energy: -97.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1075.015426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.015426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.015426 (E_RNA) where: Base-Base interactions energy: -733.347 where: short stacking energy: -332.052 Base-Backbone interact. energy: -1.871 local terms energy: -339.797312 where: bonds (distance) C4'-P energy: -60.947 bonds (distance) P-C4' energy: -65.083 flat angles C4'-P-C4' energy: -77.647 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -93.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1080.269054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.269054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.269054 (E_RNA) where: Base-Base interactions energy: -758.341 where: short stacking energy: -327.022 Base-Backbone interact. energy: 0.844 local terms energy: -322.771795 where: bonds (distance) C4'-P energy: -64.064 bonds (distance) P-C4' energy: -46.045 flat angles C4'-P-C4' energy: -71.235 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: -93.273 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: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1004.899505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.899505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.899505 (E_RNA) where: Base-Base interactions energy: -686.376 where: short stacking energy: -306.067 Base-Backbone interact. energy: -1.769 local terms energy: -316.754914 where: bonds (distance) C4'-P energy: -60.203 bonds (distance) P-C4' energy: -55.866 flat angles C4'-P-C4' energy: -65.493 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -84.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -864.158956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.158956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.158956 (E_RNA) where: Base-Base interactions energy: -565.989 where: short stacking energy: -261.275 Base-Backbone interact. energy: 0.937 local terms energy: -299.107208 where: bonds (distance) C4'-P energy: -62.098 bonds (distance) P-C4' energy: -61.535 flat angles C4'-P-C4' energy: -63.985 flat angles P-C4'-P energy: -47.195 tors. eta vs tors. theta energy: -64.295 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: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -873.504355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.504355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.504355 (E_RNA) where: Base-Base interactions energy: -596.695 where: short stacking energy: -283.363 Base-Backbone interact. energy: -1.355 local terms energy: -275.454732 where: bonds (distance) C4'-P energy: -47.766 bonds (distance) P-C4' energy: -51.583 flat angles C4'-P-C4' energy: -62.121 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: -73.297 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: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -870.407027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.407027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.407027 (E_RNA) where: Base-Base interactions energy: -578.522 where: short stacking energy: -246.484 Base-Backbone interact. energy: 0.012 local terms energy: -291.896480 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -61.029 flat angles C4'-P-C4' energy: -61.313 flat angles P-C4'-P energy: -47.839 tors. eta vs tors. theta energy: -65.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -717.341445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.341445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.341445 (E_RNA) where: Base-Base interactions energy: -483.957 where: short stacking energy: -203.539 Base-Backbone interact. energy: 1.028 local terms energy: -234.412202 where: bonds (distance) C4'-P energy: -51.125 bonds (distance) P-C4' energy: -53.087 flat angles C4'-P-C4' energy: -62.546 flat angles P-C4'-P energy: -22.643 tors. eta vs tors. theta energy: -45.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -530.649340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.649340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.649340 (E_RNA) where: Base-Base interactions energy: -306.254 where: short stacking energy: -148.940 Base-Backbone interact. energy: 3.015 local terms energy: -227.410418 where: bonds (distance) C4'-P energy: -52.757 bonds (distance) P-C4' energy: -54.908 flat angles C4'-P-C4' energy: -55.187 flat angles P-C4'-P energy: -35.253 tors. eta vs tors. theta energy: -29.305 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -320.998173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.998173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.998173 (E_RNA) where: Base-Base interactions energy: -124.076 where: short stacking energy: -93.219 Base-Backbone interact. energy: -0.941 local terms energy: -195.981199 where: bonds (distance) C4'-P energy: -49.216 bonds (distance) P-C4' energy: -65.732 flat angles C4'-P-C4' energy: -47.133 flat angles P-C4'-P energy: -32.177 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1101.300555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.300555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.300555 (E_RNA) where: Base-Base interactions energy: -764.453 where: short stacking energy: -342.780 Base-Backbone interact. energy: -2.156 local terms energy: -334.691285 where: bonds (distance) C4'-P energy: -62.303 bonds (distance) P-C4' energy: -63.621 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -94.801 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: 102 Temperature: 0.950000 Total energy: -1098.785562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.785562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.785562 (E_RNA) where: Base-Base interactions energy: -759.842 where: short stacking energy: -337.487 Base-Backbone interact. energy: 0.825 local terms energy: -339.768307 where: bonds (distance) C4'-P energy: -56.406 bonds (distance) P-C4' energy: -71.265 flat angles C4'-P-C4' energy: -72.065 flat angles P-C4'-P energy: -48.422 tors. eta vs tors. theta energy: -91.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1067.659673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.659673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.659673 (E_RNA) where: Base-Base interactions energy: -744.220 where: short stacking energy: -319.521 Base-Backbone interact. energy: -1.172 local terms energy: -322.267092 where: bonds (distance) C4'-P energy: -61.143 bonds (distance) P-C4' energy: -53.952 flat angles C4'-P-C4' energy: -72.915 flat angles P-C4'-P energy: -43.080 tors. eta vs tors. theta energy: -91.178 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: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1008.632492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.632492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.632492 (E_RNA) where: Base-Base interactions energy: -701.507 where: short stacking energy: -309.163 Base-Backbone interact. energy: -1.860 local terms energy: -305.264630 where: bonds (distance) C4'-P energy: -56.683 bonds (distance) P-C4' energy: -61.649 flat angles C4'-P-C4' energy: -64.879 flat angles P-C4'-P energy: -42.090 tors. eta vs tors. theta energy: -79.964 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: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -944.497335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.497335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.497335 (E_RNA) where: Base-Base interactions energy: -640.133 where: short stacking energy: -259.142 Base-Backbone interact. energy: -1.198 local terms energy: -303.166261 where: bonds (distance) C4'-P energy: -53.402 bonds (distance) P-C4' energy: -59.540 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: -80.975 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: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -888.958045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.958045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.958045 (E_RNA) where: Base-Base interactions energy: -595.415 where: short stacking energy: -303.756 Base-Backbone interact. energy: -0.640 local terms energy: -292.903304 where: bonds (distance) C4'-P energy: -55.142 bonds (distance) P-C4' energy: -57.873 flat angles C4'-P-C4' energy: -69.017 flat angles P-C4'-P energy: -36.693 tors. eta vs tors. theta energy: -74.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -865.318275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.318275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.318275 (E_RNA) where: Base-Base interactions energy: -583.124 where: short stacking energy: -261.981 Base-Backbone interact. energy: -0.889 local terms energy: -281.305681 where: bonds (distance) C4'-P energy: -49.717 bonds (distance) P-C4' energy: -55.119 flat angles C4'-P-C4' energy: -64.855 flat angles P-C4'-P energy: -40.475 tors. eta vs tors. theta energy: -71.140 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: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -777.681316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.681316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.681316 (E_RNA) where: Base-Base interactions energy: -528.532 where: short stacking energy: -233.680 Base-Backbone interact. energy: -0.587 local terms energy: -248.562935 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -49.351 flat angles C4'-P-C4' energy: -58.154 flat angles P-C4'-P energy: -22.935 tors. eta vs tors. theta energy: -57.659 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: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -560.401652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.401652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.401652 (E_RNA) where: Base-Base interactions energy: -352.243 where: short stacking energy: -145.358 Base-Backbone interact. energy: -1.535 local terms energy: -206.623961 where: bonds (distance) C4'-P energy: -26.966 bonds (distance) P-C4' energy: -64.300 flat angles C4'-P-C4' energy: -53.932 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -24.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -298.551497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.551497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.551497 (E_RNA) where: Base-Base interactions energy: -128.491 where: short stacking energy: -90.623 Base-Backbone interact. energy: -0.659 local terms energy: -169.401412 where: bonds (distance) C4'-P energy: -45.326 bonds (distance) P-C4' energy: -54.626 flat angles C4'-P-C4' energy: -40.069 flat angles P-C4'-P energy: -27.525 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1092.771293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.771293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.771293 (E_RNA) where: Base-Base interactions energy: -755.079 where: short stacking energy: -325.711 Base-Backbone interact. energy: -0.462 local terms energy: -337.230616 where: bonds (distance) C4'-P energy: -68.074 bonds (distance) P-C4' energy: -60.647 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -91.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1077.983274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.983274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.983274 (E_RNA) where: Base-Base interactions energy: -765.464 where: short stacking energy: -327.996 Base-Backbone interact. energy: -0.452 local terms energy: -312.067274 where: bonds (distance) C4'-P energy: -56.031 bonds (distance) P-C4' energy: -53.735 flat angles C4'-P-C4' energy: -68.336 flat angles P-C4'-P energy: -49.119 tors. eta vs tors. theta energy: -84.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1074.732598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.732598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.732598 (E_RNA) where: Base-Base interactions energy: -746.500 where: short stacking energy: -322.124 Base-Backbone interact. energy: -0.620 local terms energy: -327.612498 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -65.609 flat angles C4'-P-C4' energy: -67.255 flat angles P-C4'-P energy: -39.293 tors. eta vs tors. theta energy: -91.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1000.347557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.347557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.347557 (E_RNA) where: Base-Base interactions energy: -693.742 where: short stacking energy: -314.582 Base-Backbone interact. energy: 0.811 local terms energy: -307.416624 where: bonds (distance) C4'-P energy: -59.028 bonds (distance) P-C4' energy: -51.700 flat angles C4'-P-C4' energy: -73.492 flat angles P-C4'-P energy: -42.215 tors. eta vs tors. theta energy: -80.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -941.515196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.515196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.515196 (E_RNA) where: Base-Base interactions energy: -639.779 where: short stacking energy: -280.226 Base-Backbone interact. energy: -0.194 local terms energy: -301.541437 where: bonds (distance) C4'-P energy: -51.974 bonds (distance) P-C4' energy: -55.482 flat angles C4'-P-C4' energy: -70.687 flat angles P-C4'-P energy: -48.520 tors. eta vs tors. theta energy: -74.878 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: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -831.345648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.345648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.345648 (E_RNA) where: Base-Base interactions energy: -567.186 where: short stacking energy: -247.414 Base-Backbone interact. energy: -0.734 local terms energy: -263.425680 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -57.893 flat angles P-C4'-P energy: -35.291 tors. eta vs tors. theta energy: -58.460 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: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -816.149855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.149855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.149855 (E_RNA) where: Base-Base interactions energy: -562.466 where: short stacking energy: -264.865 Base-Backbone interact. energy: 1.728 local terms energy: -255.411921 where: bonds (distance) C4'-P energy: -66.231 bonds (distance) P-C4' energy: -42.973 flat angles C4'-P-C4' energy: -60.692 flat angles P-C4'-P energy: -29.434 tors. eta vs tors. theta energy: -56.082 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: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -756.310751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.310751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.310751 (E_RNA) where: Base-Base interactions energy: -510.247 where: short stacking energy: -233.030 Base-Backbone interact. energy: -0.573 local terms energy: -245.491561 where: bonds (distance) C4'-P energy: -42.964 bonds (distance) P-C4' energy: -54.876 flat angles C4'-P-C4' energy: -45.043 flat angles P-C4'-P energy: -42.590 tors. eta vs tors. theta energy: -60.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -541.834797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.834797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.834797 (E_RNA) where: Base-Base interactions energy: -340.332 where: short stacking energy: -148.578 Base-Backbone interact. energy: 3.020 local terms energy: -204.523065 where: bonds (distance) C4'-P energy: -52.978 bonds (distance) P-C4' energy: -47.658 flat angles C4'-P-C4' energy: -41.965 flat angles P-C4'-P energy: -40.855 tors. eta vs tors. theta energy: -21.067 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: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -422.769839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.769839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.769839 (E_RNA) where: Base-Base interactions energy: -219.563 where: short stacking energy: -112.357 Base-Backbone interact. energy: -1.239 local terms energy: -201.968179 where: bonds (distance) C4'-P energy: -59.125 bonds (distance) P-C4' energy: -54.629 flat angles C4'-P-C4' energy: -45.255 flat angles P-C4'-P energy: -37.189 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1115.211598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.211598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.211598 (E_RNA) where: Base-Base interactions energy: -764.266 where: short stacking energy: -341.678 Base-Backbone interact. energy: -2.699 local terms energy: -348.246024 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -67.958 flat angles C4'-P-C4' energy: -69.709 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -93.076 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: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1116.770157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.770157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.770157 (E_RNA) where: Base-Base interactions energy: -755.304 where: short stacking energy: -320.107 Base-Backbone interact. energy: -1.522 local terms energy: -359.944023 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -71.552 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -93.950 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: 104 Temperature: 1.000000 Total energy: -1048.118940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.118940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.118940 (E_RNA) where: Base-Base interactions energy: -731.852 where: short stacking energy: -314.308 Base-Backbone interact. energy: 1.924 local terms energy: -318.190337 where: bonds (distance) C4'-P energy: -64.443 bonds (distance) P-C4' energy: -56.767 flat angles C4'-P-C4' energy: -71.111 flat angles P-C4'-P energy: -36.722 tors. eta vs tors. theta energy: -89.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1000.917927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.917927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.917927 (E_RNA) where: Base-Base interactions energy: -686.286 where: short stacking energy: -308.977 Base-Backbone interact. energy: 2.097 local terms energy: -316.729603 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -61.105 flat angles C4'-P-C4' energy: -64.119 flat angles P-C4'-P energy: -45.283 tors. eta vs tors. theta energy: -85.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -939.621407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.621407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.621407 (E_RNA) where: Base-Base interactions energy: -656.870 where: short stacking energy: -283.918 Base-Backbone interact. energy: 5.277 local terms energy: -288.027748 where: bonds (distance) C4'-P energy: -51.540 bonds (distance) P-C4' energy: -56.774 flat angles C4'-P-C4' energy: -61.569 flat angles P-C4'-P energy: -36.823 tors. eta vs tors. theta energy: -81.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -853.640769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.640769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.640769 (E_RNA) where: Base-Base interactions energy: -567.194 where: short stacking energy: -269.123 Base-Backbone interact. energy: 1.388 local terms energy: -287.834770 where: bonds (distance) C4'-P energy: -51.879 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -62.753 flat angles P-C4'-P energy: -41.591 tors. eta vs tors. theta energy: -68.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -795.090544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.090544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.090544 (E_RNA) where: Base-Base interactions energy: -543.358 where: short stacking energy: -246.634 Base-Backbone interact. energy: -0.558 local terms energy: -251.174130 where: bonds (distance) C4'-P energy: -58.815 bonds (distance) P-C4' energy: -47.413 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -50.478 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: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -729.961374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.961374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.961374 (E_RNA) where: Base-Base interactions energy: -489.403 where: short stacking energy: -237.899 Base-Backbone interact. energy: -1.593 local terms energy: -238.965247 where: bonds (distance) C4'-P energy: -32.196 bonds (distance) P-C4' energy: -53.446 flat angles C4'-P-C4' energy: -61.676 flat angles P-C4'-P energy: -31.952 tors. eta vs tors. theta energy: -59.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -533.190343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.190343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.190343 (E_RNA) where: Base-Base interactions energy: -336.961 where: short stacking energy: -179.525 Base-Backbone interact. energy: -0.935 local terms energy: -195.294207 where: bonds (distance) C4'-P energy: -38.047 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -49.197 flat angles P-C4'-P energy: -14.766 tors. eta vs tors. theta energy: -33.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -415.005432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.005432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.005432 (E_RNA) where: Base-Base interactions energy: -190.937 where: short stacking energy: -110.354 Base-Backbone interact. energy: 0.785 local terms energy: -224.853065 where: bonds (distance) C4'-P energy: -49.534 bonds (distance) P-C4' energy: -69.889 flat angles C4'-P-C4' energy: -53.820 flat angles P-C4'-P energy: -33.312 tors. eta vs tors. theta energy: -18.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1102.300190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.300190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.300190 (E_RNA) where: Base-Base interactions energy: -770.387 where: short stacking energy: -324.534 Base-Backbone interact. energy: -1.247 local terms energy: -330.666613 where: bonds (distance) C4'-P energy: -60.529 bonds (distance) P-C4' energy: -64.351 flat angles C4'-P-C4' energy: -68.982 flat angles P-C4'-P energy: -45.972 tors. eta vs tors. theta energy: -90.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1091.835646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.835646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.835646 (E_RNA) where: Base-Base interactions energy: -757.466 where: short stacking energy: -337.829 Base-Backbone interact. energy: -0.454 local terms energy: -333.915795 where: bonds (distance) C4'-P energy: -54.856 bonds (distance) P-C4' energy: -60.287 flat angles C4'-P-C4' energy: -78.964 flat angles P-C4'-P energy: -47.769 tors. eta vs tors. theta energy: -92.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1089.490054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.490054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.490054 (E_RNA) where: Base-Base interactions energy: -758.964 where: short stacking energy: -329.474 Base-Backbone interact. energy: -1.449 local terms energy: -329.077204 where: bonds (distance) C4'-P energy: -65.625 bonds (distance) P-C4' energy: -62.932 flat angles C4'-P-C4' energy: -63.068 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -87.823 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: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1001.384695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.384695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.384695 (E_RNA) where: Base-Base interactions energy: -680.773 where: short stacking energy: -298.001 Base-Backbone interact. energy: 0.409 local terms energy: -321.020909 where: bonds (distance) C4'-P energy: -67.339 bonds (distance) P-C4' energy: -59.807 flat angles C4'-P-C4' energy: -73.748 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -77.998 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: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -951.923688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.923688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.923688 (E_RNA) where: Base-Base interactions energy: -648.126 where: short stacking energy: -296.212 Base-Backbone interact. energy: -0.896 local terms energy: -302.901841 where: bonds (distance) C4'-P energy: -68.734 bonds (distance) P-C4' energy: -51.086 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -37.642 tors. eta vs tors. theta energy: -81.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -875.545341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.545341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.545341 (E_RNA) where: Base-Base interactions energy: -594.027 where: short stacking energy: -274.098 Base-Backbone interact. energy: -0.053 local terms energy: -281.465685 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -73.356 flat angles P-C4'-P energy: -31.875 tors. eta vs tors. theta energy: -65.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -782.036226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.036226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.036226 (E_RNA) where: Base-Base interactions energy: -523.008 where: short stacking energy: -237.252 Base-Backbone interact. energy: -1.085 local terms energy: -257.943235 where: bonds (distance) C4'-P energy: -45.604 bonds (distance) P-C4' energy: -49.469 flat angles C4'-P-C4' energy: -58.421 flat angles P-C4'-P energy: -42.701 tors. eta vs tors. theta energy: -61.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -707.667129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.667129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.667129 (E_RNA) where: Base-Base interactions energy: -463.138 where: short stacking energy: -212.212 Base-Backbone interact. energy: -1.686 local terms energy: -242.843239 where: bonds (distance) C4'-P energy: -45.675 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -57.184 flat angles P-C4'-P energy: -30.404 tors. eta vs tors. theta energy: -51.536 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: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -493.217580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.217580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.217580 (E_RNA) where: Base-Base interactions energy: -294.490 where: short stacking energy: -160.009 Base-Backbone interact. energy: 0.435 local terms energy: -199.162102 where: bonds (distance) C4'-P energy: -41.589 bonds (distance) P-C4' energy: -51.959 flat angles C4'-P-C4' energy: -58.790 flat angles P-C4'-P energy: -29.332 tors. eta vs tors. theta energy: -17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -416.177482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.177482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.177482 (E_RNA) where: Base-Base interactions energy: -228.599 where: short stacking energy: -147.945 Base-Backbone interact. energy: -0.571 local terms energy: -187.007069 where: bonds (distance) C4'-P energy: -62.863 bonds (distance) P-C4' energy: -58.110 flat angles C4'-P-C4' energy: -38.468 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -16.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1104.491286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.491286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.491286 (E_RNA) where: Base-Base interactions energy: -762.794 where: short stacking energy: -345.896 Base-Backbone interact. energy: -1.751 local terms energy: -339.946182 where: bonds (distance) C4'-P energy: -64.242 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -70.299 flat angles P-C4'-P energy: -50.002 tors. eta vs tors. theta energy: -93.325 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: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1088.239645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.239645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.239645 (E_RNA) where: Base-Base interactions energy: -752.404 where: short stacking energy: -318.783 Base-Backbone interact. energy: -0.631 local terms energy: -335.203708 where: bonds (distance) C4'-P energy: -63.651 bonds (distance) P-C4' energy: -63.612 flat angles C4'-P-C4' energy: -74.663 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -89.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1026.251621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.251621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.251621 (E_RNA) where: Base-Base interactions energy: -708.387 where: short stacking energy: -315.904 Base-Backbone interact. energy: -1.840 local terms energy: -316.025025 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -68.429 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -83.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1052.532154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.532154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.532154 (E_RNA) where: Base-Base interactions energy: -720.560 where: short stacking energy: -333.004 Base-Backbone interact. energy: -1.130 local terms energy: -330.841927 where: bonds (distance) C4'-P energy: -52.321 bonds (distance) P-C4' energy: -69.791 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -44.095 tors. eta vs tors. theta energy: -97.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -962.531398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.531398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.531398 (E_RNA) where: Base-Base interactions energy: -640.095 where: short stacking energy: -294.163 Base-Backbone interact. energy: -1.621 local terms energy: -320.814896 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -63.072 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -83.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -882.299616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.299616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.299616 (E_RNA) where: Base-Base interactions energy: -609.867 where: short stacking energy: -294.089 Base-Backbone interact. energy: -0.026 local terms energy: -272.406431 where: bonds (distance) C4'-P energy: -44.372 bonds (distance) P-C4' energy: -52.733 flat angles C4'-P-C4' energy: -62.985 flat angles P-C4'-P energy: -41.082 tors. eta vs tors. theta energy: -71.234 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: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -814.602418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.602418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.602418 (E_RNA) where: Base-Base interactions energy: -544.832 where: short stacking energy: -248.665 Base-Backbone interact. energy: -0.256 local terms energy: -269.514864 where: bonds (distance) C4'-P energy: -60.516 bonds (distance) P-C4' energy: -49.700 flat angles C4'-P-C4' energy: -68.708 flat angles P-C4'-P energy: -31.109 tors. eta vs tors. theta energy: -59.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -730.800568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.800568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.800568 (E_RNA) where: Base-Base interactions energy: -476.076 where: short stacking energy: -226.223 Base-Backbone interact. energy: 1.310 local terms energy: -256.034676 where: bonds (distance) C4'-P energy: -40.352 bonds (distance) P-C4' energy: -56.563 flat angles C4'-P-C4' energy: -63.457 flat angles P-C4'-P energy: -42.893 tors. eta vs tors. theta energy: -52.770 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: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -516.880971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.880971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.880971 (E_RNA) where: Base-Base interactions energy: -293.279 where: short stacking energy: -159.046 Base-Backbone interact. energy: -1.658 local terms energy: -221.943996 where: bonds (distance) C4'-P energy: -54.616 bonds (distance) P-C4' energy: -51.194 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -40.659 tors. eta vs tors. theta energy: -26.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -441.193435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.193435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.193435 (E_RNA) where: Base-Base interactions energy: -238.478 where: short stacking energy: -135.295 Base-Backbone interact. energy: -1.204 local terms energy: -201.511471 where: bonds (distance) C4'-P energy: -48.857 bonds (distance) P-C4' energy: -55.751 flat angles C4'-P-C4' energy: -59.669 flat angles P-C4'-P energy: -23.873 tors. eta vs tors. theta energy: -13.362 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: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1103.358001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.358001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.358001 (E_RNA) where: Base-Base interactions energy: -771.131 where: short stacking energy: -340.712 Base-Backbone interact. energy: 0.408 local terms energy: -332.634845 where: bonds (distance) C4'-P energy: -57.558 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -68.374 flat angles P-C4'-P energy: -46.486 tors. eta vs tors. theta energy: -96.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1069.367419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.367419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.367419 (E_RNA) where: Base-Base interactions energy: -739.005 where: short stacking energy: -319.536 Base-Backbone interact. energy: 0.116 local terms energy: -330.478434 where: bonds (distance) C4'-P energy: -57.854 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -86.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1020.202831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.202831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.202831 (E_RNA) where: Base-Base interactions energy: -691.213 where: short stacking energy: -326.815 Base-Backbone interact. energy: -2.859 local terms energy: -326.131123 where: bonds (distance) C4'-P energy: -61.871 bonds (distance) P-C4' energy: -54.574 flat angles C4'-P-C4' energy: -68.317 flat angles P-C4'-P energy: -45.502 tors. eta vs tors. theta energy: -95.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1058.577608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.577608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.577608 (E_RNA) where: Base-Base interactions energy: -736.487 where: short stacking energy: -337.822 Base-Backbone interact. energy: -0.505 local terms energy: -321.585586 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -52.922 flat angles C4'-P-C4' energy: -70.664 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -98.803 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: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -921.384469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.384469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.384469 (E_RNA) where: Base-Base interactions energy: -629.322 where: short stacking energy: -284.134 Base-Backbone interact. energy: -1.741 local terms energy: -290.321317 where: bonds (distance) C4'-P energy: -62.156 bonds (distance) P-C4' energy: -53.867 flat angles C4'-P-C4' energy: -62.552 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: -71.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -893.351135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.351135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.351135 (E_RNA) where: Base-Base interactions energy: -603.693 where: short stacking energy: -267.915 Base-Backbone interact. energy: 1.389 local terms energy: -291.047122 where: bonds (distance) C4'-P energy: -56.278 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -55.179 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -69.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -857.108572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.108572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.108572 (E_RNA) where: Base-Base interactions energy: -574.173 where: short stacking energy: -264.074 Base-Backbone interact. energy: 0.084 local terms energy: -283.019837 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -55.758 flat angles C4'-P-C4' energy: -64.104 flat angles P-C4'-P energy: -39.390 tors. eta vs tors. theta energy: -65.016 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: 107 Temperature: 1.250000 Total energy: -760.578668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.578668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.578668 (E_RNA) where: Base-Base interactions energy: -503.284 where: short stacking energy: -244.041 Base-Backbone interact. energy: 1.664 local terms energy: -258.958702 where: bonds (distance) C4'-P energy: -47.013 bonds (distance) P-C4' energy: -48.845 flat angles C4'-P-C4' energy: -63.905 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -56.320 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: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -555.007658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.007658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.007658 (E_RNA) where: Base-Base interactions energy: -335.965 where: short stacking energy: -159.605 Base-Backbone interact. energy: 1.456 local terms energy: -220.498506 where: bonds (distance) C4'-P energy: -46.421 bonds (distance) P-C4' energy: -52.166 flat angles C4'-P-C4' energy: -54.594 flat angles P-C4'-P energy: -36.356 tors. eta vs tors. theta energy: -30.962 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: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -438.050933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.050933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.050933 (E_RNA) where: Base-Base interactions energy: -254.465 where: short stacking energy: -124.359 Base-Backbone interact. energy: -0.454 local terms energy: -183.132362 where: bonds (distance) C4'-P energy: -36.125 bonds (distance) P-C4' energy: -62.366 flat angles C4'-P-C4' energy: -49.001 flat angles P-C4'-P energy: -30.844 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1118.797923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.797923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.797923 (E_RNA) where: Base-Base interactions energy: -766.252 where: short stacking energy: -353.907 Base-Backbone interact. energy: 1.177 local terms energy: -353.722759 where: bonds (distance) C4'-P energy: -66.097 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -75.803 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -93.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1075.353954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.353954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.353954 (E_RNA) where: Base-Base interactions energy: -739.044 where: short stacking energy: -309.473 Base-Backbone interact. energy: 2.320 local terms energy: -338.630697 where: bonds (distance) C4'-P energy: -72.452 bonds (distance) P-C4' energy: -62.202 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -46.556 tors. eta vs tors. theta energy: -84.236 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: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1016.235345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.235345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.235345 (E_RNA) where: Base-Base interactions energy: -697.410 where: short stacking energy: -315.815 Base-Backbone interact. energy: 0.027 local terms energy: -318.852176 where: bonds (distance) C4'-P energy: -66.762 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -70.100 flat angles P-C4'-P energy: -40.796 tors. eta vs tors. theta energy: -83.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1036.630684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.630684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.630684 (E_RNA) where: Base-Base interactions energy: -716.355 where: short stacking energy: -322.793 Base-Backbone interact. energy: -2.094 local terms energy: -318.181860 where: bonds (distance) C4'-P energy: -67.303 bonds (distance) P-C4' energy: -54.292 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -31.771 tors. eta vs tors. theta energy: -98.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -940.553606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.553606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.553606 (E_RNA) where: Base-Base interactions energy: -659.840 where: short stacking energy: -281.386 Base-Backbone interact. energy: 1.267 local terms energy: -281.981467 where: bonds (distance) C4'-P energy: -50.564 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -63.458 flat angles P-C4'-P energy: -41.991 tors. eta vs tors. theta energy: -68.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -889.080205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.080205 (E_RNA) where: Base-Base interactions energy: -606.243 where: short stacking energy: -268.055 Base-Backbone interact. energy: -0.989 local terms energy: -281.848841 where: bonds (distance) C4'-P energy: -55.074 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -67.083 flat angles P-C4'-P energy: -27.585 tors. eta vs tors. theta energy: -70.935 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: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -773.784691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.784691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.784691 (E_RNA) where: Base-Base interactions energy: -509.053 where: short stacking energy: -255.505 Base-Backbone interact. energy: -1.337 local terms energy: -263.394313 where: bonds (distance) C4'-P energy: -64.544 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -51.707 flat angles P-C4'-P energy: -32.433 tors. eta vs tors. theta energy: -63.053 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: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -823.952398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.952398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.952398 (E_RNA) where: Base-Base interactions energy: -574.658 where: short stacking energy: -251.577 Base-Backbone interact. energy: -0.858 local terms energy: -248.436387 where: bonds (distance) C4'-P energy: -54.331 bonds (distance) P-C4' energy: -64.376 flat angles C4'-P-C4' energy: -44.014 flat angles P-C4'-P energy: -31.223 tors. eta vs tors. theta energy: -54.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -531.567781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.567781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.567781 (E_RNA) where: Base-Base interactions energy: -332.843 where: short stacking energy: -162.879 Base-Backbone interact. energy: -0.106 local terms energy: -198.618730 where: bonds (distance) C4'-P energy: -50.043 bonds (distance) P-C4' energy: -55.882 flat angles C4'-P-C4' energy: -48.931 flat angles P-C4'-P energy: -22.373 tors. eta vs tors. theta energy: -21.389 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: 108 Temperature: 1.350000 Total energy: -404.386159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.386159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.386159 (E_RNA) where: Base-Base interactions energy: -232.575 where: short stacking energy: -116.166 Base-Backbone interact. energy: 0.018 local terms energy: -171.829301 where: bonds (distance) C4'-P energy: -45.466 bonds (distance) P-C4' energy: -57.677 flat angles C4'-P-C4' energy: -38.634 flat angles P-C4'-P energy: -20.052 tors. eta vs tors. theta energy: -10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1113.176462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.176462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.176462 (E_RNA) where: Base-Base interactions energy: -772.193 where: short stacking energy: -345.654 Base-Backbone interact. energy: -0.065 local terms energy: -340.918762 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -67.515 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -93.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1088.178835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.178835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.178835 (E_RNA) where: Base-Base interactions energy: -766.427 where: short stacking energy: -311.190 Base-Backbone interact. energy: 0.948 local terms energy: -322.699899 where: bonds (distance) C4'-P energy: -56.316 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -66.887 flat angles P-C4'-P energy: -48.904 tors. eta vs tors. theta energy: -87.169 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: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1025.260148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.260148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.260148 (E_RNA) where: Base-Base interactions energy: -709.201 where: short stacking energy: -307.284 Base-Backbone interact. energy: -0.557 local terms energy: -315.501614 where: bonds (distance) C4'-P energy: -60.392 bonds (distance) P-C4' energy: -56.413 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -87.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1039.107516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.107516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.107516 (E_RNA) where: Base-Base interactions energy: -725.332 where: short stacking energy: -326.605 Base-Backbone interact. energy: -3.390 local terms energy: -310.384909 where: bonds (distance) C4'-P energy: -56.833 bonds (distance) P-C4' energy: -53.346 flat angles C4'-P-C4' energy: -65.857 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: -95.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -980.908420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.908420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.908420 (E_RNA) where: Base-Base interactions energy: -674.869 where: short stacking energy: -282.959 Base-Backbone interact. energy: -0.822 local terms energy: -305.217857 where: bonds (distance) C4'-P energy: -60.469 bonds (distance) P-C4' energy: -60.601 flat angles C4'-P-C4' energy: -62.253 flat angles P-C4'-P energy: -36.478 tors. eta vs tors. theta energy: -85.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -857.159276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.159276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.159276 (E_RNA) where: Base-Base interactions energy: -564.276 where: short stacking energy: -248.399 Base-Backbone interact. energy: -0.678 local terms energy: -292.205890 where: bonds (distance) C4'-P energy: -61.925 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -63.801 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -62.883 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: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -813.072740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.072740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.072740 (E_RNA) where: Base-Base interactions energy: -551.912 where: short stacking energy: -267.856 Base-Backbone interact. energy: -0.927 local terms energy: -260.233754 where: bonds (distance) C4'-P energy: -46.301 bonds (distance) P-C4' energy: -47.529 flat angles C4'-P-C4' energy: -52.503 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -67.848 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -816.501041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.501041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.501041 (E_RNA) where: Base-Base interactions energy: -545.609 where: short stacking energy: -250.448 Base-Backbone interact. energy: 0.584 local terms energy: -271.476880 where: bonds (distance) C4'-P energy: -56.999 bonds (distance) P-C4' energy: -53.176 flat angles C4'-P-C4' energy: -59.050 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -60.811 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: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -599.565892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.565892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.565892 (E_RNA) where: Base-Base interactions energy: -379.642 where: short stacking energy: -193.867 Base-Backbone interact. energy: -1.604 local terms energy: -218.319953 where: bonds (distance) C4'-P energy: -48.131 bonds (distance) P-C4' energy: -48.992 flat angles C4'-P-C4' energy: -48.551 flat angles P-C4'-P energy: -23.558 tors. eta vs tors. theta energy: -49.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -401.677978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.677978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.677978 (E_RNA) where: Base-Base interactions energy: -209.228 where: short stacking energy: -122.289 Base-Backbone interact. energy: -1.786 local terms energy: -190.664222 where: bonds (distance) C4'-P energy: -45.778 bonds (distance) P-C4' energy: -46.354 flat angles C4'-P-C4' energy: -56.934 flat angles P-C4'-P energy: -28.801 tors. eta vs tors. theta energy: -12.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1124.850451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.850451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.850451 (E_RNA) where: Base-Base interactions energy: -768.862 where: short stacking energy: -325.002 Base-Backbone interact. energy: -3.225 local terms energy: -352.763455 where: bonds (distance) C4'-P energy: -67.553 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -71.919 flat angles P-C4'-P energy: -51.711 tors. eta vs tors. theta energy: -92.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1100.791286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.791286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.791286 (E_RNA) where: Base-Base interactions energy: -765.150 where: short stacking energy: -339.645 Base-Backbone interact. energy: -1.862 local terms energy: -333.778597 where: bonds (distance) C4'-P energy: -56.497 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -70.965 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -95.115 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: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1033.110529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.110529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.110529 (E_RNA) where: Base-Base interactions energy: -679.770 where: short stacking energy: -317.367 Base-Backbone interact. energy: -3.555 local terms energy: -349.785230 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -100.197 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: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1025.577531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.577531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.577531 (E_RNA) where: Base-Base interactions energy: -704.266 where: short stacking energy: -299.856 Base-Backbone interact. energy: 1.833 local terms energy: -323.144482 where: bonds (distance) C4'-P energy: -68.553 bonds (distance) P-C4' energy: -68.766 flat angles C4'-P-C4' energy: -67.886 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -80.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -974.849509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.849509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.849509 (E_RNA) where: Base-Base interactions energy: -681.803 where: short stacking energy: -295.391 Base-Backbone interact. energy: -0.937 local terms energy: -292.108704 where: bonds (distance) C4'-P energy: -55.159 bonds (distance) P-C4' energy: -45.710 flat angles C4'-P-C4' energy: -62.683 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -80.593 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: 110 Temperature: 1.150000 Total energy: -841.958746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.958746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.958746 (E_RNA) where: Base-Base interactions energy: -551.276 where: short stacking energy: -253.355 Base-Backbone interact. energy: -2.500 local terms energy: -288.182779 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -59.939 flat angles C4'-P-C4' energy: -63.401 flat angles P-C4'-P energy: -32.350 tors. eta vs tors. theta energy: -70.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -807.374905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.374905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.374905 (E_RNA) where: Base-Base interactions energy: -530.962 where: short stacking energy: -274.029 Base-Backbone interact. energy: -1.220 local terms energy: -275.192516 where: bonds (distance) C4'-P energy: -57.068 bonds (distance) P-C4' energy: -48.431 flat angles C4'-P-C4' energy: -63.940 flat angles P-C4'-P energy: -38.571 tors. eta vs tors. theta energy: -67.182 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -782.561344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.561344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.561344 (E_RNA) where: Base-Base interactions energy: -503.717 where: short stacking energy: -217.435 Base-Backbone interact. energy: -0.774 local terms energy: -278.069532 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -59.046 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: -56.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -611.994639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.994639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.994639 (E_RNA) where: Base-Base interactions energy: -379.291 where: short stacking energy: -196.786 Base-Backbone interact. energy: 0.059 local terms energy: -232.763056 where: bonds (distance) C4'-P energy: -42.493 bonds (distance) P-C4' energy: -54.799 flat angles C4'-P-C4' energy: -50.006 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -47.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -405.461879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.461879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.461879 (E_RNA) where: Base-Base interactions energy: -222.521 where: short stacking energy: -134.573 Base-Backbone interact. energy: -1.585 local terms energy: -181.355853 where: bonds (distance) C4'-P energy: -41.847 bonds (distance) P-C4' energy: -51.132 flat angles C4'-P-C4' energy: -55.321 flat angles P-C4'-P energy: -12.259 tors. eta vs tors. theta energy: -20.797 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: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1102.849103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.849103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.849103 (E_RNA) where: Base-Base interactions energy: -771.989 where: short stacking energy: -297.843 Base-Backbone interact. energy: 0.615 local terms energy: -331.475576 where: bonds (distance) C4'-P energy: -67.293 bonds (distance) P-C4' energy: -65.031 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -79.828 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: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1102.975417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.975417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.975417 (E_RNA) where: Base-Base interactions energy: -759.520 where: short stacking energy: -349.275 Base-Backbone interact. energy: -0.779 local terms energy: -342.677151 where: bonds (distance) C4'-P energy: -63.189 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -75.014 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -95.128 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: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1052.894456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.894456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.894456 (E_RNA) where: Base-Base interactions energy: -739.084 where: short stacking energy: -330.976 Base-Backbone interact. energy: -1.557 local terms energy: -312.252798 where: bonds (distance) C4'-P energy: -51.293 bonds (distance) P-C4' energy: -56.016 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -42.245 tors. eta vs tors. theta energy: -95.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1006.584230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.584230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.584230 (E_RNA) where: Base-Base interactions energy: -688.761 where: short stacking energy: -306.655 Base-Backbone interact. energy: -0.617 local terms energy: -317.206344 where: bonds (distance) C4'-P energy: -54.146 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -65.578 flat angles P-C4'-P energy: -43.323 tors. eta vs tors. theta energy: -89.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -991.115438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.115438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.115438 (E_RNA) where: Base-Base interactions energy: -670.231 where: short stacking energy: -312.293 Base-Backbone interact. energy: -1.546 local terms energy: -319.338789 where: bonds (distance) C4'-P energy: -54.190 bonds (distance) P-C4' energy: -69.011 flat angles C4'-P-C4' energy: -67.736 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -86.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -851.951779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.951779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.951779 (E_RNA) where: Base-Base interactions energy: -573.349 where: short stacking energy: -243.945 Base-Backbone interact. energy: -1.484 local terms energy: -277.118169 where: bonds (distance) C4'-P energy: -51.882 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -50.156 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -64.691 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: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -826.992593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.992593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.992593 (E_RNA) where: Base-Base interactions energy: -548.246 where: short stacking energy: -259.538 Base-Backbone interact. energy: -1.198 local terms energy: -277.549338 where: bonds (distance) C4'-P energy: -50.912 bonds (distance) P-C4' energy: -58.384 flat angles C4'-P-C4' energy: -59.432 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -69.190 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: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -800.833413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.833413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.833413 (E_RNA) where: Base-Base interactions energy: -532.084 where: short stacking energy: -254.071 Base-Backbone interact. energy: -0.704 local terms energy: -268.045338 where: bonds (distance) C4'-P energy: -45.794 bonds (distance) P-C4' energy: -55.506 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -46.461 tors. eta vs tors. theta energy: -58.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -635.087264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.087264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.087264 (E_RNA) where: Base-Base interactions energy: -389.237 where: short stacking energy: -190.439 Base-Backbone interact. energy: 3.946 local terms energy: -249.796858 where: bonds (distance) C4'-P energy: -50.361 bonds (distance) P-C4' energy: -57.063 flat angles C4'-P-C4' energy: -58.166 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -40.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -426.069168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.069168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.069168 (E_RNA) where: Base-Base interactions energy: -230.429 where: short stacking energy: -133.281 Base-Backbone interact. energy: 2.701 local terms energy: -198.341145 where: bonds (distance) C4'-P energy: -59.561 bonds (distance) P-C4' energy: -58.983 flat angles C4'-P-C4' energy: -53.351 flat angles P-C4'-P energy: -22.681 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1133.251869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.251869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.251869 (E_RNA) where: Base-Base interactions energy: -781.325 where: short stacking energy: -351.859 Base-Backbone interact. energy: -0.480 local terms energy: -351.447484 where: bonds (distance) C4'-P energy: -63.692 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -74.734 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -92.693 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1062.768531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.768531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.768531 (E_RNA) where: Base-Base interactions energy: -745.142 where: short stacking energy: -323.009 Base-Backbone interact. energy: -1.059 local terms energy: -316.567486 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -54.026 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -44.236 tors. eta vs tors. theta energy: -85.009 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: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1068.484325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.484325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.484325 (E_RNA) where: Base-Base interactions energy: -726.310 where: short stacking energy: -340.541 Base-Backbone interact. energy: -1.114 local terms energy: -341.060209 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -72.146 flat angles P-C4'-P energy: -45.818 tors. eta vs tors. theta energy: -98.760 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: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1004.283288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.283288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.283288 (E_RNA) where: Base-Base interactions energy: -686.546 where: short stacking energy: -315.556 Base-Backbone interact. energy: -0.055 local terms energy: -317.682077 where: bonds (distance) C4'-P energy: -52.027 bonds (distance) P-C4' energy: -60.974 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: -88.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -972.335608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.335608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.335608 (E_RNA) where: Base-Base interactions energy: -678.089 where: short stacking energy: -312.272 Base-Backbone interact. energy: -2.198 local terms energy: -292.048551 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -61.274 flat angles C4'-P-C4' energy: -53.569 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -79.776 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: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -852.063187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.063187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.063187 (E_RNA) where: Base-Base interactions energy: -597.338 where: short stacking energy: -259.116 Base-Backbone interact. energy: -0.125 local terms energy: -254.600190 where: bonds (distance) C4'-P energy: -53.091 bonds (distance) P-C4' energy: -43.165 flat angles C4'-P-C4' energy: -56.473 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -65.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -839.554604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.554604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.554604 (E_RNA) where: Base-Base interactions energy: -562.700 where: short stacking energy: -266.954 Base-Backbone interact. energy: -0.362 local terms energy: -276.492805 where: bonds (distance) C4'-P energy: -49.835 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -59.891 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -61.457 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: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -770.411798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.411798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.411798 (E_RNA) where: Base-Base interactions energy: -513.690 where: short stacking energy: -227.825 Base-Backbone interact. energy: 1.940 local terms energy: -258.661375 where: bonds (distance) C4'-P energy: -46.682 bonds (distance) P-C4' energy: -60.935 flat angles C4'-P-C4' energy: -53.458 flat angles P-C4'-P energy: -42.510 tors. eta vs tors. theta energy: -55.076 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: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -583.980415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.980415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.980415 (E_RNA) where: Base-Base interactions energy: -384.589 where: short stacking energy: -174.393 Base-Backbone interact. energy: -2.414 local terms energy: -196.977961 where: bonds (distance) C4'-P energy: -43.217 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -38.986 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: -26.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -427.743688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.743688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.743688 (E_RNA) where: Base-Base interactions energy: -233.483 where: short stacking energy: -123.924 Base-Backbone interact. energy: -0.032 local terms energy: -194.228636 where: bonds (distance) C4'-P energy: -43.228 bonds (distance) P-C4' energy: -49.459 flat angles C4'-P-C4' energy: -59.015 flat angles P-C4'-P energy: -37.918 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1120.860770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.860770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.860770 (E_RNA) where: Base-Base interactions energy: -775.151 where: short stacking energy: -363.234 Base-Backbone interact. energy: -0.130 local terms energy: -345.579750 where: bonds (distance) C4'-P energy: -55.560 bonds (distance) P-C4' energy: -65.905 flat angles C4'-P-C4' energy: -75.150 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -96.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1075.611782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.611782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.611782 (E_RNA) where: Base-Base interactions energy: -729.700 where: short stacking energy: -337.273 Base-Backbone interact. energy: -1.578 local terms energy: -344.332992 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -67.532 flat angles C4'-P-C4' energy: -62.377 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -97.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1034.839101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.839101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.839101 (E_RNA) where: Base-Base interactions energy: -706.540 where: short stacking energy: -296.771 Base-Backbone interact. energy: 0.434 local terms energy: -328.732877 where: bonds (distance) C4'-P energy: -52.635 bonds (distance) P-C4' energy: -64.205 flat angles C4'-P-C4' energy: -68.981 flat angles P-C4'-P energy: -57.652 tors. eta vs tors. theta energy: -85.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1002.682444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.682444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.682444 (E_RNA) where: Base-Base interactions energy: -703.853 where: short stacking energy: -301.193 Base-Backbone interact. energy: -1.417 local terms energy: -297.413069 where: bonds (distance) C4'-P energy: -48.483 bonds (distance) P-C4' energy: -54.273 flat angles C4'-P-C4' energy: -62.258 flat angles P-C4'-P energy: -41.245 tors. eta vs tors. theta energy: -91.154 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: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -946.613603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.613603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.613603 (E_RNA) where: Base-Base interactions energy: -655.915 where: short stacking energy: -293.270 Base-Backbone interact. energy: -0.346 local terms energy: -290.352592 where: bonds (distance) C4'-P energy: -60.820 bonds (distance) P-C4' energy: -63.622 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -38.996 tors. eta vs tors. theta energy: -72.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -849.828644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.828644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.828644 (E_RNA) where: Base-Base interactions energy: -581.352 where: short stacking energy: -249.544 Base-Backbone interact. energy: -0.672 local terms energy: -267.805468 where: bonds (distance) C4'-P energy: -52.063 bonds (distance) P-C4' energy: -60.802 flat angles C4'-P-C4' energy: -56.130 flat angles P-C4'-P energy: -39.658 tors. eta vs tors. theta energy: -59.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -811.858773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.858773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.858773 (E_RNA) where: Base-Base interactions energy: -557.124 where: short stacking energy: -249.874 Base-Backbone interact. energy: 0.497 local terms energy: -255.232562 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -50.450 flat angles C4'-P-C4' energy: -64.757 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: -54.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -762.823781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.823781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.823781 (E_RNA) where: Base-Base interactions energy: -504.215 where: short stacking energy: -230.963 Base-Backbone interact. energy: -1.047 local terms energy: -257.561893 where: bonds (distance) C4'-P energy: -50.248 bonds (distance) P-C4' energy: -48.658 flat angles C4'-P-C4' energy: -57.386 flat angles P-C4'-P energy: -34.398 tors. eta vs tors. theta energy: -66.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -539.799783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.799783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.799783 (E_RNA) where: Base-Base interactions energy: -352.182 where: short stacking energy: -153.625 Base-Backbone interact. energy: -0.923 local terms energy: -186.694469 where: bonds (distance) C4'-P energy: -50.607 bonds (distance) P-C4' energy: -46.109 flat angles C4'-P-C4' energy: -35.317 flat angles P-C4'-P energy: -29.964 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: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -387.882479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.882479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.882479 (E_RNA) where: Base-Base interactions energy: -197.205 where: short stacking energy: -124.530 Base-Backbone interact. energy: 0.112 local terms energy: -190.788799 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -56.318 flat angles P-C4'-P energy: -24.877 tors. eta vs tors. theta energy: 2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1136.908929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.908929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.908929 (E_RNA) where: Base-Base interactions energy: -783.790 where: short stacking energy: -352.394 Base-Backbone interact. energy: -1.984 local terms energy: -351.134878 where: bonds (distance) C4'-P energy: -66.185 bonds (distance) P-C4' energy: -64.599 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -94.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1076.752619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.752619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.752619 (E_RNA) where: Base-Base interactions energy: -733.074 where: short stacking energy: -333.543 Base-Backbone interact. energy: -1.901 local terms energy: -341.777504 where: bonds (distance) C4'-P energy: -57.706 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -74.465 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -94.052 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: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1019.727833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.727833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.727833 (E_RNA) where: Base-Base interactions energy: -698.410 where: short stacking energy: -300.938 Base-Backbone interact. energy: 2.020 local terms energy: -323.337905 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -62.597 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -83.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -992.929584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.929584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.929584 (E_RNA) where: Base-Base interactions energy: -685.116 where: short stacking energy: -294.944 Base-Backbone interact. energy: -3.303 local terms energy: -304.510905 where: bonds (distance) C4'-P energy: -55.947 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -65.335 flat angles P-C4'-P energy: -35.003 tors. eta vs tors. theta energy: -86.707 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: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -946.909106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.909106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.909106 (E_RNA) where: Base-Base interactions energy: -649.084 where: short stacking energy: -272.383 Base-Backbone interact. energy: -0.583 local terms energy: -297.242588 where: bonds (distance) C4'-P energy: -61.326 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -58.945 flat angles P-C4'-P energy: -39.296 tors. eta vs tors. theta energy: -73.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -862.517866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.517866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.517866 (E_RNA) where: Base-Base interactions energy: -579.839 where: short stacking energy: -250.427 Base-Backbone interact. energy: 1.020 local terms energy: -283.698957 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -63.693 flat angles P-C4'-P energy: -34.001 tors. eta vs tors. theta energy: -66.685 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: 7, replica: 1 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -856.615449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.615449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.615449 (E_RNA) where: Base-Base interactions energy: -576.399 where: short stacking energy: -249.585 Base-Backbone interact. energy: -0.960 local terms energy: -279.256129 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -59.414 flat angles C4'-P-C4' energy: -60.754 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -51.423 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: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -747.053807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.053807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.053807 (E_RNA) where: Base-Base interactions energy: -490.950 where: short stacking energy: -234.161 Base-Backbone interact. energy: 0.221 local terms energy: -256.325254 where: bonds (distance) C4'-P energy: -36.706 bonds (distance) P-C4' energy: -57.407 flat angles C4'-P-C4' energy: -63.304 flat angles P-C4'-P energy: -35.947 tors. eta vs tors. theta energy: -62.962 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: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -551.938723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.938723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.938723 (E_RNA) where: Base-Base interactions energy: -348.736 where: short stacking energy: -155.952 Base-Backbone interact. energy: 1.833 local terms energy: -205.035725 where: bonds (distance) C4'-P energy: -48.548 bonds (distance) P-C4' energy: -49.093 flat angles C4'-P-C4' energy: -52.918 flat angles P-C4'-P energy: -32.258 tors. eta vs tors. theta energy: -22.218 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: 114 Temperature: 1.350000 Total energy: -392.817125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.817125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.817125 (E_RNA) where: Base-Base interactions energy: -211.774 where: short stacking energy: -125.218 Base-Backbone interact. energy: -0.420 local terms energy: -180.623560 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -48.158 flat angles C4'-P-C4' energy: -39.631 flat angles P-C4'-P energy: -28.249 tors. eta vs tors. theta energy: -13.023 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: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1140.285722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.285722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.285722 (E_RNA) where: Base-Base interactions energy: -781.393 where: short stacking energy: -345.119 Base-Backbone interact. energy: -1.038 local terms energy: -357.854717 where: bonds (distance) C4'-P energy: -63.480 bonds (distance) P-C4' energy: -67.691 flat angles C4'-P-C4' energy: -78.430 flat angles P-C4'-P energy: -49.206 tors. eta vs tors. theta energy: -99.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1100.003260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.003260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.003260 (E_RNA) where: Base-Base interactions energy: -745.222 where: short stacking energy: -349.456 Base-Backbone interact. energy: 1.457 local terms energy: -356.237809 where: bonds (distance) C4'-P energy: -65.768 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -72.971 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -101.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1010.404334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.404334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.404334 (E_RNA) where: Base-Base interactions energy: -701.172 where: short stacking energy: -303.182 Base-Backbone interact. energy: -1.113 local terms energy: -308.119085 where: bonds (distance) C4'-P energy: -51.620 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -83.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1030.858982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.858982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.858982 (E_RNA) where: Base-Base interactions energy: -719.299 where: short stacking energy: -303.462 Base-Backbone interact. energy: 1.306 local terms energy: -312.866075 where: bonds (distance) C4'-P energy: -54.923 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -68.772 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -83.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -941.151887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.151887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.151887 (E_RNA) where: Base-Base interactions energy: -650.067 where: short stacking energy: -282.193 Base-Backbone interact. energy: 10.328 local terms energy: -301.411924 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -38.975 tors. eta vs tors. theta energy: -76.444 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: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -880.300249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.300249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.300249 (E_RNA) where: Base-Base interactions energy: -619.470 where: short stacking energy: -270.340 Base-Backbone interact. energy: -0.431 local terms energy: -260.399060 where: bonds (distance) C4'-P energy: -47.178 bonds (distance) P-C4' energy: -46.734 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -39.476 tors. eta vs tors. theta energy: -69.858 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: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -841.939275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.939275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.939275 (E_RNA) where: Base-Base interactions energy: -558.640 where: short stacking energy: -255.043 Base-Backbone interact. energy: -1.178 local terms energy: -282.120942 where: bonds (distance) C4'-P energy: -62.772 bonds (distance) P-C4' energy: -44.705 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -36.750 tors. eta vs tors. theta energy: -71.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -766.982561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.982561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.982561 (E_RNA) where: Base-Base interactions energy: -500.832 where: short stacking energy: -252.561 Base-Backbone interact. energy: -0.568 local terms energy: -265.581720 where: bonds (distance) C4'-P energy: -57.823 bonds (distance) P-C4' energy: -41.042 flat angles C4'-P-C4' energy: -61.990 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: -69.527 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: 115 Temperature: 1.300000 Total energy: -518.257102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.257102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.257102 (E_RNA) where: Base-Base interactions energy: -331.319 where: short stacking energy: -179.224 Base-Backbone interact. energy: -0.249 local terms energy: -186.689415 where: bonds (distance) C4'-P energy: -36.080 bonds (distance) P-C4' energy: -43.082 flat angles C4'-P-C4' energy: -47.110 flat angles P-C4'-P energy: -33.440 tors. eta vs tors. theta energy: -26.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -413.066701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.066701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.066701 (E_RNA) where: Base-Base interactions energy: -209.879 where: short stacking energy: -127.640 Base-Backbone interact. energy: -1.581 local terms energy: -201.606173 where: bonds (distance) C4'-P energy: -48.410 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -51.444 flat angles P-C4'-P energy: -25.855 tors. eta vs tors. theta energy: -16.722 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: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1142.543343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.543343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.543343 (E_RNA) where: Base-Base interactions energy: -781.892 where: short stacking energy: -357.106 Base-Backbone interact. energy: -2.631 local terms energy: -358.021094 where: bonds (distance) C4'-P energy: -64.661 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -96.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1102.662415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.662415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.662415 (E_RNA) where: Base-Base interactions energy: -748.842 where: short stacking energy: -350.057 Base-Backbone interact. energy: -1.641 local terms energy: -352.179354 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -73.049 flat angles C4'-P-C4' energy: -69.856 flat angles P-C4'-P energy: -48.265 tors. eta vs tors. theta energy: -99.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1033.608005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.608005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.608005 (E_RNA) where: Base-Base interactions energy: -708.564 where: short stacking energy: -323.795 Base-Backbone interact. energy: -1.965 local terms energy: -323.079103 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -56.859 flat angles C4'-P-C4' energy: -68.768 flat angles P-C4'-P energy: -49.490 tors. eta vs tors. theta energy: -89.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1035.331090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.331090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.331090 (E_RNA) where: Base-Base interactions energy: -712.776 where: short stacking energy: -299.690 Base-Backbone interact. energy: -0.989 local terms energy: -321.565714 where: bonds (distance) C4'-P energy: -62.932 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -75.173 flat angles P-C4'-P energy: -39.289 tors. eta vs tors. theta energy: -86.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -928.551665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.551665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.551665 (E_RNA) where: Base-Base interactions energy: -633.935 where: short stacking energy: -282.601 Base-Backbone interact. energy: -2.267 local terms energy: -292.348979 where: bonds (distance) C4'-P energy: -54.023 bonds (distance) P-C4' energy: -54.043 flat angles C4'-P-C4' energy: -66.876 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -71.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -870.941303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.941303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.941303 (E_RNA) where: Base-Base interactions energy: -597.465 where: short stacking energy: -254.199 Base-Backbone interact. energy: -1.512 local terms energy: -271.964520 where: bonds (distance) C4'-P energy: -48.324 bonds (distance) P-C4' energy: -55.284 flat angles C4'-P-C4' energy: -61.280 flat angles P-C4'-P energy: -44.719 tors. eta vs tors. theta energy: -62.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -833.974459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.974459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.974459 (E_RNA) where: Base-Base interactions energy: -574.214 where: short stacking energy: -252.569 Base-Backbone interact. energy: -0.598 local terms energy: -259.162062 where: bonds (distance) C4'-P energy: -51.027 bonds (distance) P-C4' energy: -53.152 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -25.016 tors. eta vs tors. theta energy: -65.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -750.200448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.200448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.200448 (E_RNA) where: Base-Base interactions energy: -511.246 where: short stacking energy: -244.948 Base-Backbone interact. energy: -1.202 local terms energy: -237.753336 where: bonds (distance) C4'-P energy: -35.833 bonds (distance) P-C4' energy: -44.060 flat angles C4'-P-C4' energy: -59.032 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: -61.735 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: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -564.257470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.257470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.257470 (E_RNA) where: Base-Base interactions energy: -343.570 where: short stacking energy: -151.068 Base-Backbone interact. energy: 0.051 local terms energy: -220.738629 where: bonds (distance) C4'-P energy: -50.596 bonds (distance) P-C4' energy: -53.411 flat angles C4'-P-C4' energy: -54.560 flat angles P-C4'-P energy: -31.435 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: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -457.871690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.871690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.871690 (E_RNA) where: Base-Base interactions energy: -246.513 where: short stacking energy: -142.260 Base-Backbone interact. energy: -1.493 local terms energy: -209.865627 where: bonds (distance) C4'-P energy: -53.705 bonds (distance) P-C4' energy: -53.736 flat angles C4'-P-C4' energy: -47.979 flat angles P-C4'-P energy: -31.984 tors. eta vs tors. theta energy: -22.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1133.750209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.750209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.750209 (E_RNA) where: Base-Base interactions energy: -794.611 where: short stacking energy: -362.477 Base-Backbone interact. energy: -2.395 local terms energy: -336.744123 where: bonds (distance) C4'-P energy: -57.777 bonds (distance) P-C4' energy: -57.887 flat angles C4'-P-C4' energy: -72.508 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: -101.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1111.588686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.588686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.588686 (E_RNA) where: Base-Base interactions energy: -756.353 where: short stacking energy: -361.086 Base-Backbone interact. energy: -0.366 local terms energy: -354.870508 where: bonds (distance) C4'-P energy: -60.691 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -68.749 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -109.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1031.673137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.673137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.673137 (E_RNA) where: Base-Base interactions energy: -704.761 where: short stacking energy: -317.766 Base-Backbone interact. energy: -1.100 local terms energy: -325.811694 where: bonds (distance) C4'-P energy: -59.236 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -63.807 flat angles P-C4'-P energy: -54.471 tors. eta vs tors. theta energy: -88.456 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: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1013.713957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.713957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.713957 (E_RNA) where: Base-Base interactions energy: -693.059 where: short stacking energy: -298.931 Base-Backbone interact. energy: -1.256 local terms energy: -319.399019 where: bonds (distance) C4'-P energy: -62.414 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -71.453 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -73.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -933.139653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.139653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.139653 (E_RNA) where: Base-Base interactions energy: -633.440 where: short stacking energy: -281.527 Base-Backbone interact. energy: -3.478 local terms energy: -296.221182 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -67.688 flat angles P-C4'-P energy: -38.802 tors. eta vs tors. theta energy: -70.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -881.926312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.926312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.926312 (E_RNA) where: Base-Base interactions energy: -610.998 where: short stacking energy: -273.381 Base-Backbone interact. energy: -1.108 local terms energy: -269.819766 where: bonds (distance) C4'-P energy: -46.378 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -62.774 flat angles P-C4'-P energy: -34.505 tors. eta vs tors. theta energy: -66.841 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: 117 Temperature: 1.200000 Total energy: -831.248066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.248066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.248066 (E_RNA) where: Base-Base interactions energy: -547.482 where: short stacking energy: -249.348 Base-Backbone interact. energy: -1.300 local terms energy: -282.465953 where: bonds (distance) C4'-P energy: -58.823 bonds (distance) P-C4' energy: -61.492 flat angles C4'-P-C4' energy: -54.927 flat angles P-C4'-P energy: -39.745 tors. eta vs tors. theta energy: -67.479 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: 117 Temperature: 1.250000 Total energy: -747.011135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.011135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.011135 (E_RNA) where: Base-Base interactions energy: -483.246 where: short stacking energy: -223.964 Base-Backbone interact. energy: -0.245 local terms energy: -263.520628 where: bonds (distance) C4'-P energy: -44.993 bonds (distance) P-C4' energy: -60.596 flat angles C4'-P-C4' energy: -66.460 flat angles P-C4'-P energy: -36.338 tors. eta vs tors. theta energy: -55.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -574.089155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.089155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.089155 (E_RNA) where: Base-Base interactions energy: -361.149 where: short stacking energy: -166.721 Base-Backbone interact. energy: -1.422 local terms energy: -211.518617 where: bonds (distance) C4'-P energy: -47.526 bonds (distance) P-C4' energy: -48.662 flat angles C4'-P-C4' energy: -43.864 flat angles P-C4'-P energy: -38.342 tors. eta vs tors. theta energy: -33.125 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: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -458.668631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.668631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.668631 (E_RNA) where: Base-Base interactions energy: -267.123 where: short stacking energy: -153.990 Base-Backbone interact. energy: -2.106 local terms energy: -189.439510 where: bonds (distance) C4'-P energy: -46.933 bonds (distance) P-C4' energy: -49.241 flat angles C4'-P-C4' energy: -35.656 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: -21.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1153.796528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.796528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.796528 (E_RNA) where: Base-Base interactions energy: -805.924 where: short stacking energy: -370.111 Base-Backbone interact. energy: 0.143 local terms energy: -348.016046 where: bonds (distance) C4'-P energy: -59.392 bonds (distance) P-C4' energy: -64.350 flat angles C4'-P-C4' energy: -69.623 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -101.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1083.186542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.186542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.186542 (E_RNA) where: Base-Base interactions energy: -751.308 where: short stacking energy: -333.131 Base-Backbone interact. energy: -1.290 local terms energy: -330.588577 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -67.480 flat angles C4'-P-C4' energy: -62.863 flat angles P-C4'-P energy: -47.078 tors. eta vs tors. theta energy: -94.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1007.882385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.882385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.882385 (E_RNA) where: Base-Base interactions energy: -689.440 where: short stacking energy: -312.858 Base-Backbone interact. energy: -1.147 local terms energy: -317.295433 where: bonds (distance) C4'-P energy: -62.317 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -48.930 tors. eta vs tors. theta energy: -84.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1022.677768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.677768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.677768 (E_RNA) where: Base-Base interactions energy: -689.846 where: short stacking energy: -301.219 Base-Backbone interact. energy: -0.816 local terms energy: -332.015652 where: bonds (distance) C4'-P energy: -56.672 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -75.028 flat angles P-C4'-P energy: -44.328 tors. eta vs tors. theta energy: -89.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -963.302244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.302244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.302244 (E_RNA) where: Base-Base interactions energy: -677.297 where: short stacking energy: -301.087 Base-Backbone interact. energy: -0.512 local terms energy: -285.493730 where: bonds (distance) C4'-P energy: -49.187 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -62.508 flat angles P-C4'-P energy: -37.553 tors. eta vs tors. theta energy: -74.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -895.254248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.254248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.254248 (E_RNA) where: Base-Base interactions energy: -604.542 where: short stacking energy: -254.317 Base-Backbone interact. energy: -1.988 local terms energy: -288.724895 where: bonds (distance) C4'-P energy: -50.152 bonds (distance) P-C4' energy: -59.764 flat angles C4'-P-C4' energy: -69.372 flat angles P-C4'-P energy: -42.321 tors. eta vs tors. theta energy: -67.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -845.188979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.188979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.188979 (E_RNA) where: Base-Base interactions energy: -572.633 where: short stacking energy: -263.117 Base-Backbone interact. energy: 1.775 local terms energy: -274.330640 where: bonds (distance) C4'-P energy: -53.789 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -61.310 flat angles P-C4'-P energy: -32.934 tors. eta vs tors. theta energy: -61.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -751.339156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.339156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.339156 (E_RNA) where: Base-Base interactions energy: -491.079 where: short stacking energy: -244.821 Base-Backbone interact. energy: -0.148 local terms energy: -260.111744 where: bonds (distance) C4'-P energy: -48.023 bonds (distance) P-C4' energy: -61.164 flat angles C4'-P-C4' energy: -59.983 flat angles P-C4'-P energy: -37.083 tors. eta vs tors. theta energy: -53.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -598.649466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.649466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.649466 (E_RNA) where: Base-Base interactions energy: -370.780 where: short stacking energy: -181.097 Base-Backbone interact. energy: -0.435 local terms energy: -227.434428 where: bonds (distance) C4'-P energy: -56.300 bonds (distance) P-C4' energy: -56.812 flat angles C4'-P-C4' energy: -52.368 flat angles P-C4'-P energy: -25.374 tors. eta vs tors. theta energy: -36.579 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: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -409.521372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.521372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.521372 (E_RNA) where: Base-Base interactions energy: -227.350 where: short stacking energy: -125.166 Base-Backbone interact. energy: -1.081 local terms energy: -181.089751 where: bonds (distance) C4'-P energy: -55.975 bonds (distance) P-C4' energy: -37.886 flat angles C4'-P-C4' energy: -42.141 flat angles P-C4'-P energy: -36.208 tors. eta vs tors. theta energy: -8.880 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: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1132.081991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.081991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.081991 (E_RNA) where: Base-Base interactions energy: -777.551 where: short stacking energy: -336.264 Base-Backbone interact. energy: -2.016 local terms energy: -352.515002 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -66.820 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -101.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1097.775881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.775881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.775881 (E_RNA) where: Base-Base interactions energy: -747.419 where: short stacking energy: -346.865 Base-Backbone interact. energy: -1.616 local terms energy: -348.740221 where: bonds (distance) C4'-P energy: -59.037 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -79.540 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -102.370 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: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1015.633180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.633180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.633180 (E_RNA) where: Base-Base interactions energy: -697.117 where: short stacking energy: -307.608 Base-Backbone interact. energy: -2.546 local terms energy: -315.970401 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -61.133 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: -77.594 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: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1003.409229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.409229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.409229 (E_RNA) where: Base-Base interactions energy: -695.797 where: short stacking energy: -307.666 Base-Backbone interact. energy: 1.429 local terms energy: -309.042092 where: bonds (distance) C4'-P energy: -58.377 bonds (distance) P-C4' energy: -64.043 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -40.841 tors. eta vs tors. theta energy: -85.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -982.357804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.357804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.357804 (E_RNA) where: Base-Base interactions energy: -702.707 where: short stacking energy: -290.380 Base-Backbone interact. energy: 0.605 local terms energy: -280.256152 where: bonds (distance) C4'-P energy: -48.525 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -66.327 flat angles P-C4'-P energy: -36.400 tors. eta vs tors. theta energy: -71.486 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -893.013460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.013460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.013460 (E_RNA) where: Base-Base interactions energy: -620.696 where: short stacking energy: -254.017 Base-Backbone interact. energy: 1.128 local terms energy: -273.445168 where: bonds (distance) C4'-P energy: -46.936 bonds (distance) P-C4' energy: -56.213 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -36.765 tors. eta vs tors. theta energy: -64.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -847.668651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.668651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.668651 (E_RNA) where: Base-Base interactions energy: -578.780 where: short stacking energy: -269.601 Base-Backbone interact. energy: 0.985 local terms energy: -269.873922 where: bonds (distance) C4'-P energy: -49.205 bonds (distance) P-C4' energy: -56.138 flat angles C4'-P-C4' energy: -48.571 flat angles P-C4'-P energy: -44.340 tors. eta vs tors. theta energy: -71.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -751.646343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.646343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.646343 (E_RNA) where: Base-Base interactions energy: -488.989 where: short stacking energy: -233.408 Base-Backbone interact. energy: -0.770 local terms energy: -261.886829 where: bonds (distance) C4'-P energy: -54.593 bonds (distance) P-C4' energy: -53.060 flat angles C4'-P-C4' energy: -56.547 flat angles P-C4'-P energy: -37.395 tors. eta vs tors. theta energy: -60.293 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: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -603.007915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.007915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.007915 (E_RNA) where: Base-Base interactions energy: -374.906 where: short stacking energy: -181.994 Base-Backbone interact. energy: 2.633 local terms energy: -230.734697 where: bonds (distance) C4'-P energy: -45.915 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -57.501 flat angles P-C4'-P energy: -30.328 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -440.043003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.043003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.043003 (E_RNA) where: Base-Base interactions energy: -234.830 where: short stacking energy: -125.816 Base-Backbone interact. energy: -1.791 local terms energy: -203.421206 where: bonds (distance) C4'-P energy: -53.490 bonds (distance) P-C4' energy: -55.997 flat angles C4'-P-C4' energy: -55.250 flat angles P-C4'-P energy: -37.925 tors. eta vs tors. theta energy: -0.759 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: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1124.571436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.571436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.571436 (E_RNA) where: Base-Base interactions energy: -779.477 where: short stacking energy: -340.088 Base-Backbone interact. energy: -2.016 local terms energy: -343.078966 where: bonds (distance) C4'-P energy: -68.092 bonds (distance) P-C4' energy: -66.240 flat angles C4'-P-C4' energy: -71.250 flat angles P-C4'-P energy: -39.154 tors. eta vs tors. theta energy: -98.343 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: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1113.487259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.487259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.487259 (E_RNA) where: Base-Base interactions energy: -775.358 where: short stacking energy: -354.358 Base-Backbone interact. energy: -0.249 local terms energy: -337.880453 where: bonds (distance) C4'-P energy: -54.882 bonds (distance) P-C4' energy: -62.187 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -47.355 tors. eta vs tors. theta energy: -101.566 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: 120 Temperature: 1.000000 Total energy: -1044.362299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.362299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.362299 (E_RNA) where: Base-Base interactions energy: -725.008 where: short stacking energy: -309.538 Base-Backbone interact. energy: -1.797 local terms energy: -317.557691 where: bonds (distance) C4'-P energy: -62.043 bonds (distance) P-C4' energy: -62.195 flat angles C4'-P-C4' energy: -60.660 flat angles P-C4'-P energy: -46.275 tors. eta vs tors. theta energy: -86.384 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: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1006.481666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.481666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.481666 (E_RNA) where: Base-Base interactions energy: -674.638 where: short stacking energy: -310.343 Base-Backbone interact. energy: -0.888 local terms energy: -330.955490 where: bonds (distance) C4'-P energy: -69.196 bonds (distance) P-C4' energy: -63.776 flat angles C4'-P-C4' energy: -65.097 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: -86.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -981.298228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.298228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.298228 (E_RNA) where: Base-Base interactions energy: -693.687 where: short stacking energy: -299.996 Base-Backbone interact. energy: -1.865 local terms energy: -285.746198 where: bonds (distance) C4'-P energy: -50.406 bonds (distance) P-C4' energy: -59.870 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -34.314 tors. eta vs tors. theta energy: -79.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -907.066820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.066820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.066820 (E_RNA) where: Base-Base interactions energy: -638.095 where: short stacking energy: -281.743 Base-Backbone interact. energy: 1.071 local terms energy: -270.042606 where: bonds (distance) C4'-P energy: -48.952 bonds (distance) P-C4' energy: -57.139 flat angles C4'-P-C4' energy: -60.287 flat angles P-C4'-P energy: -30.664 tors. eta vs tors. theta energy: -73.001 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: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -864.286849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.286849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.286849 (E_RNA) where: Base-Base interactions energy: -592.457 where: short stacking energy: -270.518 Base-Backbone interact. energy: -1.475 local terms energy: -270.354522 where: bonds (distance) C4'-P energy: -46.048 bonds (distance) P-C4' energy: -44.754 flat angles C4'-P-C4' energy: -67.562 flat angles P-C4'-P energy: -30.836 tors. eta vs tors. theta energy: -81.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -757.042872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.042872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.042872 (E_RNA) where: Base-Base interactions energy: -506.607 where: short stacking energy: -241.728 Base-Backbone interact. energy: 2.352 local terms energy: -252.788582 where: bonds (distance) C4'-P energy: -42.659 bonds (distance) P-C4' energy: -46.062 flat angles C4'-P-C4' energy: -50.134 flat angles P-C4'-P energy: -46.681 tors. eta vs tors. theta energy: -67.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -578.833323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.833323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.833323 (E_RNA) where: Base-Base interactions energy: -346.082 where: short stacking energy: -166.146 Base-Backbone interact. energy: 0.162 local terms energy: -232.913411 where: bonds (distance) C4'-P energy: -51.223 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -54.197 flat angles P-C4'-P energy: -33.850 tors. eta vs tors. theta energy: -37.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -401.355353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.355353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.355353 (E_RNA) where: Base-Base interactions energy: -197.121 where: short stacking energy: -110.568 Base-Backbone interact. energy: 2.532 local terms energy: -206.766635 where: bonds (distance) C4'-P energy: -58.036 bonds (distance) P-C4' energy: -57.141 flat angles C4'-P-C4' energy: -54.372 flat angles P-C4'-P energy: -31.469 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1130.678759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.678759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.678759 (E_RNA) where: Base-Base interactions energy: -783.611 where: short stacking energy: -351.463 Base-Backbone interact. energy: 3.980 local terms energy: -351.047238 where: bonds (distance) C4'-P energy: -66.756 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -102.777 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: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1053.719490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.719490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.719490 (E_RNA) where: Base-Base interactions energy: -716.308 where: short stacking energy: -311.835 Base-Backbone interact. energy: -3.461 local terms energy: -333.951352 where: bonds (distance) C4'-P energy: -72.681 bonds (distance) P-C4' energy: -57.446 flat angles C4'-P-C4' energy: -71.220 flat angles P-C4'-P energy: -48.660 tors. eta vs tors. theta energy: -83.945 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: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1081.223234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.223234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.223234 (E_RNA) where: Base-Base interactions energy: -746.641 where: short stacking energy: -343.274 Base-Backbone interact. energy: 0.142 local terms energy: -334.724119 where: bonds (distance) C4'-P energy: -51.230 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -74.817 flat angles P-C4'-P energy: -43.846 tors. eta vs tors. theta energy: -101.340 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: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1011.119720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.119720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.119720 (E_RNA) where: Base-Base interactions energy: -699.282 where: short stacking energy: -331.038 Base-Backbone interact. energy: -0.703 local terms energy: -311.134960 where: bonds (distance) C4'-P energy: -55.973 bonds (distance) P-C4' energy: -57.534 flat angles C4'-P-C4' energy: -62.830 flat angles P-C4'-P energy: -43.869 tors. eta vs tors. theta energy: -90.929 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: 5, replica: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -995.389226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.389226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.389226 (E_RNA) where: Base-Base interactions energy: -688.164 where: short stacking energy: -286.484 Base-Backbone interact. energy: 2.642 local terms energy: -309.866750 where: bonds (distance) C4'-P energy: -58.043 bonds (distance) P-C4' energy: -67.736 flat angles C4'-P-C4' energy: -62.837 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -82.300 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: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -895.147212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.147212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.147212 (E_RNA) where: Base-Base interactions energy: -600.982 where: short stacking energy: -261.059 Base-Backbone interact. energy: -2.797 local terms energy: -291.368241 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -53.726 flat angles C4'-P-C4' energy: -67.235 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: -71.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -809.970369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.970369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.970369 (E_RNA) where: Base-Base interactions energy: -520.439 where: short stacking energy: -248.844 Base-Backbone interact. energy: 0.029 local terms energy: -289.560622 where: bonds (distance) C4'-P energy: -54.579 bonds (distance) P-C4' energy: -50.393 flat angles C4'-P-C4' energy: -68.582 flat angles P-C4'-P energy: -47.286 tors. eta vs tors. theta energy: -68.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -740.109310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.109310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.109310 (E_RNA) where: Base-Base interactions energy: -475.783 where: short stacking energy: -246.344 Base-Backbone interact. energy: -1.229 local terms energy: -263.097220 where: bonds (distance) C4'-P energy: -56.834 bonds (distance) P-C4' energy: -48.359 flat angles C4'-P-C4' energy: -56.616 flat angles P-C4'-P energy: -34.252 tors. eta vs tors. theta energy: -67.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -559.859463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.859463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.859463 (E_RNA) where: Base-Base interactions energy: -343.547 where: short stacking energy: -157.187 Base-Backbone interact. energy: 4.629 local terms energy: -220.940650 where: bonds (distance) C4'-P energy: -54.560 bonds (distance) P-C4' energy: -51.499 flat angles C4'-P-C4' energy: -52.215 flat angles P-C4'-P energy: -40.963 tors. eta vs tors. theta energy: -21.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -401.196628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.196628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.196628 (E_RNA) where: Base-Base interactions energy: -219.286 where: short stacking energy: -116.557 Base-Backbone interact. energy: -0.142 local terms energy: -181.768310 where: bonds (distance) C4'-P energy: -55.722 bonds (distance) P-C4' energy: -57.330 flat angles C4'-P-C4' energy: -36.368 flat angles P-C4'-P energy: -28.149 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1129.548897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.548897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.548897 (E_RNA) where: Base-Base interactions energy: -788.130 where: short stacking energy: -342.770 Base-Backbone interact. energy: -0.431 local terms energy: -340.987775 where: bonds (distance) C4'-P energy: -65.798 bonds (distance) P-C4' energy: -67.997 flat angles C4'-P-C4' energy: -68.547 flat angles P-C4'-P energy: -41.639 tors. eta vs tors. theta energy: -97.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1064.332587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.332587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.332587 (E_RNA) where: Base-Base interactions energy: -736.817 where: short stacking energy: -316.099 Base-Backbone interact. energy: -4.017 local terms energy: -323.499161 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -61.236 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: -89.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1080.183973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.183973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.183973 (E_RNA) where: Base-Base interactions energy: -733.451 where: short stacking energy: -316.854 Base-Backbone interact. energy: -1.509 local terms energy: -345.223974 where: bonds (distance) C4'-P energy: -65.679 bonds (distance) P-C4' energy: -72.506 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -91.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1021.772388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.772388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.772388 (E_RNA) where: Base-Base interactions energy: -690.962 where: short stacking energy: -322.979 Base-Backbone interact. energy: -2.118 local terms energy: -328.692516 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -56.497 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -998.102434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.102434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.102434 (E_RNA) where: Base-Base interactions energy: -705.102 where: short stacking energy: -277.671 Base-Backbone interact. energy: -1.459 local terms energy: -291.541512 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -57.383 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -42.367 tors. eta vs tors. theta energy: -73.192 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: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -907.293450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.293450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.293450 (E_RNA) where: Base-Base interactions energy: -602.760 where: short stacking energy: -262.401 Base-Backbone interact. energy: -1.053 local terms energy: -303.480281 where: bonds (distance) C4'-P energy: -69.576 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -63.933 flat angles P-C4'-P energy: -36.417 tors. eta vs tors. theta energy: -69.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -805.721140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.721140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.721140 (E_RNA) where: Base-Base interactions energy: -521.634 where: short stacking energy: -255.316 Base-Backbone interact. energy: -1.221 local terms energy: -282.865972 where: bonds (distance) C4'-P energy: -55.437 bonds (distance) P-C4' energy: -61.263 flat angles C4'-P-C4' energy: -56.770 flat angles P-C4'-P energy: -48.447 tors. eta vs tors. theta energy: -60.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -760.759590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.759590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.759590 (E_RNA) where: Base-Base interactions energy: -502.239 where: short stacking energy: -240.932 Base-Backbone interact. energy: 0.852 local terms energy: -259.372810 where: bonds (distance) C4'-P energy: -47.975 bonds (distance) P-C4' energy: -63.710 flat angles C4'-P-C4' energy: -51.015 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -60.911 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: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -558.995489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.995489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.995489 (E_RNA) where: Base-Base interactions energy: -349.088 where: short stacking energy: -168.886 Base-Backbone interact. energy: 3.894 local terms energy: -213.801914 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -46.038 flat angles C4'-P-C4' energy: -46.298 flat angles P-C4'-P energy: -28.472 tors. eta vs tors. theta energy: -38.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -471.006285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.006285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.006285 (E_RNA) where: Base-Base interactions energy: -301.589 where: short stacking energy: -172.818 Base-Backbone interact. energy: -1.052 local terms energy: -168.365263 where: bonds (distance) C4'-P energy: -45.540 bonds (distance) P-C4' energy: -43.605 flat angles C4'-P-C4' energy: -35.521 flat angles P-C4'-P energy: -23.660 tors. eta vs tors. theta energy: -20.039 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: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1132.918899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.918899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.918899 (E_RNA) where: Base-Base interactions energy: -787.981 where: short stacking energy: -347.912 Base-Backbone interact. energy: -0.359 local terms energy: -344.578778 where: bonds (distance) C4'-P energy: -68.827 bonds (distance) P-C4' energy: -60.282 flat angles C4'-P-C4' energy: -76.079 flat angles P-C4'-P energy: -45.312 tors. eta vs tors. theta energy: -94.078 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: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1108.650305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.650305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.650305 (E_RNA) where: Base-Base interactions energy: -754.977 where: short stacking energy: -346.021 Base-Backbone interact. energy: -0.577 local terms energy: -353.095918 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -70.871 flat angles C4'-P-C4' energy: -71.475 flat angles P-C4'-P energy: -49.021 tors. eta vs tors. theta energy: -98.993 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: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1064.334165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.334165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.334165 (E_RNA) where: Base-Base interactions energy: -726.847 where: short stacking energy: -324.601 Base-Backbone interact. energy: -1.836 local terms energy: -335.651441 where: bonds (distance) C4'-P energy: -66.034 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -95.407 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: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -989.794352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.794352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.794352 (E_RNA) where: Base-Base interactions energy: -675.301 where: short stacking energy: -312.288 Base-Backbone interact. energy: -1.926 local terms energy: -312.567213 where: bonds (distance) C4'-P energy: -50.534 bonds (distance) P-C4' energy: -58.188 flat angles C4'-P-C4' energy: -68.446 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -88.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1007.724340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.724340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.724340 (E_RNA) where: Base-Base interactions energy: -698.648 where: short stacking energy: -291.747 Base-Backbone interact. energy: -0.229 local terms energy: -308.846974 where: bonds (distance) C4'-P energy: -56.517 bonds (distance) P-C4' energy: -59.853 flat angles C4'-P-C4' energy: -67.484 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: -77.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -902.694146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.694146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.694146 (E_RNA) where: Base-Base interactions energy: -621.475 where: short stacking energy: -274.104 Base-Backbone interact. energy: 0.611 local terms energy: -281.830057 where: bonds (distance) C4'-P energy: -57.458 bonds (distance) P-C4' energy: -54.272 flat angles C4'-P-C4' energy: -66.259 flat angles P-C4'-P energy: -32.703 tors. eta vs tors. theta energy: -71.139 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: 123 Temperature: 1.200000 Total energy: -819.852549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.852549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.852549 (E_RNA) where: Base-Base interactions energy: -549.801 where: short stacking energy: -261.923 Base-Backbone interact. energy: -1.778 local terms energy: -268.272633 where: bonds (distance) C4'-P energy: -57.393 bonds (distance) P-C4' energy: -49.425 flat angles C4'-P-C4' energy: -50.463 flat angles P-C4'-P energy: -40.958 tors. eta vs tors. theta energy: -70.034 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: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -596.179858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.179858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.179858 (E_RNA) where: Base-Base interactions energy: -360.192 where: short stacking energy: -170.617 Base-Backbone interact. energy: 2.080 local terms energy: -238.067660 where: bonds (distance) C4'-P energy: -51.074 bonds (distance) P-C4' energy: -71.194 flat angles C4'-P-C4' energy: -43.036 flat angles P-C4'-P energy: -37.208 tors. eta vs tors. theta energy: -35.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -784.624681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.624681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.624681 (E_RNA) where: Base-Base interactions energy: -525.710 where: short stacking energy: -243.576 Base-Backbone interact. energy: -0.211 local terms energy: -258.704213 where: bonds (distance) C4'-P energy: -54.237 bonds (distance) P-C4' energy: -56.537 flat angles C4'-P-C4' energy: -56.541 flat angles P-C4'-P energy: -35.820 tors. eta vs tors. theta energy: -55.569 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: 123 Temperature: 1.350000 Total energy: -425.957253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.957253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.957253 (E_RNA) where: Base-Base interactions energy: -237.604 where: short stacking energy: -124.554 Base-Backbone interact. energy: -0.052 local terms energy: -188.300733 where: bonds (distance) C4'-P energy: -54.748 bonds (distance) P-C4' energy: -60.167 flat angles C4'-P-C4' energy: -30.402 flat angles P-C4'-P energy: -30.111 tors. eta vs tors. theta energy: -12.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1150.923050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.923050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.923050 (E_RNA) where: Base-Base interactions energy: -793.114 where: short stacking energy: -351.169 Base-Backbone interact. energy: -1.497 local terms energy: -356.312154 where: bonds (distance) C4'-P energy: -67.205 bonds (distance) P-C4' energy: -64.815 flat angles C4'-P-C4' energy: -76.622 flat angles P-C4'-P energy: -44.216 tors. eta vs tors. theta energy: -103.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1107.417087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.417087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.417087 (E_RNA) where: Base-Base interactions energy: -765.481 where: short stacking energy: -343.829 Base-Backbone interact. energy: -1.428 local terms energy: -340.508121 where: bonds (distance) C4'-P energy: -47.883 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -74.708 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -98.507 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: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1043.017123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.017123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.017123 (E_RNA) where: Base-Base interactions energy: -720.739 where: short stacking energy: -325.883 Base-Backbone interact. energy: -0.910 local terms energy: -321.368053 where: bonds (distance) C4'-P energy: -53.886 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -75.652 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -86.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1016.434348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.434348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.434348 (E_RNA) where: Base-Base interactions energy: -689.655 where: short stacking energy: -304.062 Base-Backbone interact. energy: -2.631 local terms energy: -324.148807 where: bonds (distance) C4'-P energy: -60.178 bonds (distance) P-C4' energy: -65.012 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -92.090 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: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -991.918557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.918557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.918557 (E_RNA) where: Base-Base interactions energy: -688.732 where: short stacking energy: -275.153 Base-Backbone interact. energy: -1.116 local terms energy: -302.070507 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -49.327 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -80.611 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: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -899.156914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.156914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.156914 (E_RNA) where: Base-Base interactions energy: -619.733 where: short stacking energy: -284.740 Base-Backbone interact. energy: -2.215 local terms energy: -277.208093 where: bonds (distance) C4'-P energy: -51.594 bonds (distance) P-C4' energy: -58.331 flat angles C4'-P-C4' energy: -65.429 flat angles P-C4'-P energy: -28.722 tors. eta vs tors. theta energy: -73.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -814.323592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.323592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.323592 (E_RNA) where: Base-Base interactions energy: -527.191 where: short stacking energy: -234.865 Base-Backbone interact. energy: -0.734 local terms energy: -286.398263 where: bonds (distance) C4'-P energy: -44.998 bonds (distance) P-C4' energy: -64.694 flat angles C4'-P-C4' energy: -54.209 flat angles P-C4'-P energy: -49.317 tors. eta vs tors. theta energy: -73.181 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: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -650.908219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.908219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.908219 (E_RNA) where: Base-Base interactions energy: -410.943 where: short stacking energy: -211.043 Base-Backbone interact. energy: -0.819 local terms energy: -239.146733 where: bonds (distance) C4'-P energy: -47.899 bonds (distance) P-C4' energy: -47.893 flat angles C4'-P-C4' energy: -52.397 flat angles P-C4'-P energy: -43.544 tors. eta vs tors. theta energy: -47.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -786.025072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.025072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.025072 (E_RNA) where: Base-Base interactions energy: -525.374 where: short stacking energy: -233.508 Base-Backbone interact. energy: 5.340 local terms energy: -265.991731 where: bonds (distance) C4'-P energy: -52.899 bonds (distance) P-C4' energy: -60.112 flat angles C4'-P-C4' energy: -56.012 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -55.323 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: 124 Temperature: 1.350000 Total energy: -473.554593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.554593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.554593 (E_RNA) where: Base-Base interactions energy: -268.669 where: short stacking energy: -137.651 Base-Backbone interact. energy: 0.132 local terms energy: -205.017611 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -61.377 flat angles C4'-P-C4' energy: -44.372 flat angles P-C4'-P energy: -22.798 tors. eta vs tors. theta energy: -22.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1125.732447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.732447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.732447 (E_RNA) where: Base-Base interactions energy: -790.861 where: short stacking energy: -337.120 Base-Backbone interact. energy: 0.272 local terms energy: -335.144061 where: bonds (distance) C4'-P energy: -62.980 bonds (distance) P-C4' energy: -66.545 flat angles C4'-P-C4' energy: -73.695 flat angles P-C4'-P energy: -41.020 tors. eta vs tors. theta energy: -90.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1114.901551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.901551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.901551 (E_RNA) where: Base-Base interactions energy: -776.219 where: short stacking energy: -340.209 Base-Backbone interact. energy: -2.141 local terms energy: -336.541103 where: bonds (distance) C4'-P energy: -60.146 bonds (distance) P-C4' energy: -63.731 flat angles C4'-P-C4' energy: -72.407 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -97.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1019.134912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.134912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.134912 (E_RNA) where: Base-Base interactions energy: -686.403 where: short stacking energy: -303.631 Base-Backbone interact. energy: 1.236 local terms energy: -333.967324 where: bonds (distance) C4'-P energy: -63.244 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -82.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1031.794594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.794594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.794594 (E_RNA) where: Base-Base interactions energy: -692.682 where: short stacking energy: -315.318 Base-Backbone interact. energy: -3.106 local terms energy: -336.006970 where: bonds (distance) C4'-P energy: -69.056 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -84.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -972.309370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.309370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.309370 (E_RNA) where: Base-Base interactions energy: -680.999 where: short stacking energy: -277.190 Base-Backbone interact. energy: -2.478 local terms energy: -288.832446 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -48.225 flat angles C4'-P-C4' energy: -67.650 flat angles P-C4'-P energy: -36.713 tors. eta vs tors. theta energy: -75.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -851.926758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.926758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.926758 (E_RNA) where: Base-Base interactions energy: -585.291 where: short stacking energy: -260.685 Base-Backbone interact. energy: 2.316 local terms energy: -268.951782 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -45.460 flat angles C4'-P-C4' energy: -63.975 flat angles P-C4'-P energy: -39.940 tors. eta vs tors. theta energy: -61.657 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: 125 Temperature: 1.200000 Total energy: -799.330889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.330889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.330889 (E_RNA) where: Base-Base interactions energy: -542.935 where: short stacking energy: -239.249 Base-Backbone interact. energy: -0.883 local terms energy: -255.513056 where: bonds (distance) C4'-P energy: -60.492 bonds (distance) P-C4' energy: -50.991 flat angles C4'-P-C4' energy: -54.534 flat angles P-C4'-P energy: -27.740 tors. eta vs tors. theta energy: -61.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -782.926461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.926461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.926461 (E_RNA) where: Base-Base interactions energy: -525.930 where: short stacking energy: -245.776 Base-Backbone interact. energy: -2.125 local terms energy: -254.871525 where: bonds (distance) C4'-P energy: -39.980 bonds (distance) P-C4' energy: -52.947 flat angles C4'-P-C4' energy: -65.965 flat angles P-C4'-P energy: -35.827 tors. eta vs tors. theta energy: -60.153 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -594.322114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.322114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.322114 (E_RNA) where: Base-Base interactions energy: -383.056 where: short stacking energy: -160.431 Base-Backbone interact. energy: -1.774 local terms energy: -209.491606 where: bonds (distance) C4'-P energy: -53.133 bonds (distance) P-C4' energy: -53.045 flat angles C4'-P-C4' energy: -46.934 flat angles P-C4'-P energy: -29.915 tors. eta vs tors. theta energy: -26.463 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -438.958772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.958772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.958772 (E_RNA) where: Base-Base interactions energy: -269.273 where: short stacking energy: -131.261 Base-Backbone interact. energy: -1.944 local terms energy: -167.741830 where: bonds (distance) C4'-P energy: -33.726 bonds (distance) P-C4' energy: -51.808 flat angles C4'-P-C4' energy: -58.506 flat angles P-C4'-P energy: -19.661 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1120.662279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.662279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.662279 (E_RNA) where: Base-Base interactions energy: -777.369 where: short stacking energy: -342.692 Base-Backbone interact. energy: -1.263 local terms energy: -342.031096 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -62.375 flat angles C4'-P-C4' energy: -75.066 flat angles P-C4'-P energy: -52.078 tors. eta vs tors. theta energy: -93.920 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: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1107.230298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.230298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.230298 (E_RNA) where: Base-Base interactions energy: -768.890 where: short stacking energy: -351.250 Base-Backbone interact. energy: -1.056 local terms energy: -337.285038 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -64.031 flat angles C4'-P-C4' energy: -67.502 flat angles P-C4'-P energy: -41.178 tors. eta vs tors. theta energy: -101.663 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: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1066.213420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.213420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.213420 (E_RNA) where: Base-Base interactions energy: -723.854 where: short stacking energy: -316.065 Base-Backbone interact. energy: -0.937 local terms energy: -341.423249 where: bonds (distance) C4'-P energy: -58.694 bonds (distance) P-C4' energy: -64.972 flat angles C4'-P-C4' energy: -69.062 flat angles P-C4'-P energy: -50.002 tors. eta vs tors. theta energy: -98.693 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: 7 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1004.929270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.929270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.929270 (E_RNA) where: Base-Base interactions energy: -699.995 where: short stacking energy: -291.513 Base-Backbone interact. energy: -0.078 local terms energy: -304.855905 where: bonds (distance) C4'-P energy: -61.071 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -65.626 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -74.867 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: 126 Temperature: 1.100000 Total energy: -947.403355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.403355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.403355 (E_RNA) where: Base-Base interactions energy: -654.258 where: short stacking energy: -267.760 Base-Backbone interact. energy: 0.034 local terms energy: -293.180098 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -54.512 flat angles C4'-P-C4' energy: -60.049 flat angles P-C4'-P energy: -44.713 tors. eta vs tors. theta energy: -75.742 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: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -895.789831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.789831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.789831 (E_RNA) where: Base-Base interactions energy: -598.225 where: short stacking energy: -266.356 Base-Backbone interact. energy: -0.569 local terms energy: -296.995217 where: bonds (distance) C4'-P energy: -65.282 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -65.545 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: -61.136 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: 126 Temperature: 1.200000 Total energy: -831.380710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.380710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.380710 (E_RNA) where: Base-Base interactions energy: -560.197 where: short stacking energy: -247.496 Base-Backbone interact. energy: 0.119 local terms energy: -271.303183 where: bonds (distance) C4'-P energy: -55.251 bonds (distance) P-C4' energy: -55.148 flat angles C4'-P-C4' energy: -62.774 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -52.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -825.054324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.054324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.054324 (E_RNA) where: Base-Base interactions energy: -548.282 where: short stacking energy: -256.903 Base-Backbone interact. energy: -3.711 local terms energy: -273.061208 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -33.558 tors. eta vs tors. theta energy: -57.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -611.402561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.402561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.402561 (E_RNA) where: Base-Base interactions energy: -373.919 where: short stacking energy: -190.523 Base-Backbone interact. energy: -0.696 local terms energy: -236.787675 where: bonds (distance) C4'-P energy: -56.907 bonds (distance) P-C4' energy: -63.961 flat angles C4'-P-C4' energy: -51.833 flat angles P-C4'-P energy: -28.692 tors. eta vs tors. theta energy: -35.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -448.496751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.496751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.496751 (E_RNA) where: Base-Base interactions energy: -259.794 where: short stacking energy: -128.337 Base-Backbone interact. energy: -0.159 local terms energy: -188.544041 where: bonds (distance) C4'-P energy: -46.723 bonds (distance) P-C4' energy: -50.896 flat angles C4'-P-C4' energy: -56.923 flat angles P-C4'-P energy: -28.641 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1138.149698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.149698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.149698 (E_RNA) where: Base-Base interactions energy: -788.538 where: short stacking energy: -348.339 Base-Backbone interact. energy: -1.366 local terms energy: -348.246113 where: bonds (distance) C4'-P energy: -66.129 bonds (distance) P-C4' energy: -64.043 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: -98.076 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: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1087.191558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.191558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.191558 (E_RNA) where: Base-Base interactions energy: -732.020 where: short stacking energy: -337.137 Base-Backbone interact. energy: -0.887 local terms energy: -354.284479 where: bonds (distance) C4'-P energy: -74.143 bonds (distance) P-C4' energy: -67.885 flat angles C4'-P-C4' energy: -74.008 flat angles P-C4'-P energy: -44.397 tors. eta vs tors. theta energy: -93.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1079.595826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.595826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.595826 (E_RNA) where: Base-Base interactions energy: -754.995 where: short stacking energy: -320.997 Base-Backbone interact. energy: 1.692 local terms energy: -326.293574 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -66.624 flat angles C4'-P-C4' energy: -66.597 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: -92.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -991.254669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.254669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.254669 (E_RNA) where: Base-Base interactions energy: -710.760 where: short stacking energy: -302.858 Base-Backbone interact. energy: 0.234 local terms energy: -280.728163 where: bonds (distance) C4'-P energy: -48.643 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -62.054 flat angles P-C4'-P energy: -41.963 tors. eta vs tors. theta energy: -66.810 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: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -972.123038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.123038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.123038 (E_RNA) where: Base-Base interactions energy: -689.658 where: short stacking energy: -274.552 Base-Backbone interact. energy: 0.847 local terms energy: -283.312898 where: bonds (distance) C4'-P energy: -58.862 bonds (distance) P-C4' energy: -56.365 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -34.839 tors. eta vs tors. theta energy: -65.345 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: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -895.130674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.130674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.130674 (E_RNA) where: Base-Base interactions energy: -606.303 where: short stacking energy: -282.740 Base-Backbone interact. energy: -0.820 local terms energy: -288.008207 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -63.388 flat angles C4'-P-C4' energy: -64.919 flat angles P-C4'-P energy: -35.609 tors. eta vs tors. theta energy: -63.734 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: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -830.169388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.169388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.169388 (E_RNA) where: Base-Base interactions energy: -547.131 where: short stacking energy: -262.786 Base-Backbone interact. energy: 0.554 local terms energy: -283.592156 where: bonds (distance) C4'-P energy: -50.444 bonds (distance) P-C4' energy: -60.100 flat angles C4'-P-C4' energy: -63.120 flat angles P-C4'-P energy: -40.455 tors. eta vs tors. theta energy: -69.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -779.234063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.234063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.234063 (E_RNA) where: Base-Base interactions energy: -542.267 where: short stacking energy: -260.034 Base-Backbone interact. energy: 2.139 local terms energy: -239.106408 where: bonds (distance) C4'-P energy: -46.900 bonds (distance) P-C4' energy: -49.952 flat angles C4'-P-C4' energy: -53.166 flat angles P-C4'-P energy: -35.498 tors. eta vs tors. theta energy: -53.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -572.826249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.826249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.826249 (E_RNA) where: Base-Base interactions energy: -334.401 where: short stacking energy: -143.830 Base-Backbone interact. energy: 2.394 local terms energy: -240.818809 where: bonds (distance) C4'-P energy: -64.658 bonds (distance) P-C4' energy: -52.125 flat angles C4'-P-C4' energy: -56.189 flat angles P-C4'-P energy: -38.079 tors. eta vs tors. theta energy: -29.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -425.343155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.343155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.343155 (E_RNA) where: Base-Base interactions energy: -245.428 where: short stacking energy: -122.454 Base-Backbone interact. energy: 3.109 local terms energy: -183.023954 where: bonds (distance) C4'-P energy: -44.963 bonds (distance) P-C4' energy: -51.556 flat angles C4'-P-C4' energy: -56.262 flat angles P-C4'-P energy: -25.459 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1116.560995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.560995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.560995 (E_RNA) where: Base-Base interactions energy: -776.722 where: short stacking energy: -353.591 Base-Backbone interact. energy: -2.435 local terms energy: -337.404330 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -63.226 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -46.272 tors. eta vs tors. theta energy: -100.984 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: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1125.400643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.400643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.400643 (E_RNA) where: Base-Base interactions energy: -775.750 where: short stacking energy: -356.433 Base-Backbone interact. energy: 0.044 local terms energy: -349.694567 where: bonds (distance) C4'-P energy: -59.604 bonds (distance) P-C4' energy: -65.998 flat angles C4'-P-C4' energy: -77.904 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: -99.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1087.247294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.247294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.247294 (E_RNA) where: Base-Base interactions energy: -771.028 where: short stacking energy: -335.167 Base-Backbone interact. energy: -0.624 local terms energy: -315.595606 where: bonds (distance) C4'-P energy: -51.418 bonds (distance) P-C4' energy: -62.145 flat angles C4'-P-C4' energy: -65.639 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: -90.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1006.430710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.430710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.430710 (E_RNA) where: Base-Base interactions energy: -703.845 where: short stacking energy: -298.035 Base-Backbone interact. energy: 0.682 local terms energy: -303.267381 where: bonds (distance) C4'-P energy: -60.720 bonds (distance) P-C4' energy: -62.693 flat angles C4'-P-C4' energy: -62.781 flat angles P-C4'-P energy: -41.279 tors. eta vs tors. theta energy: -75.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -958.779774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.779774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.779774 (E_RNA) where: Base-Base interactions energy: -676.730 where: short stacking energy: -276.713 Base-Backbone interact. energy: -3.550 local terms energy: -278.500240 where: bonds (distance) C4'-P energy: -49.778 bonds (distance) P-C4' energy: -55.274 flat angles C4'-P-C4' energy: -61.243 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: -67.457 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: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -867.835614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.835614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.835614 (E_RNA) where: Base-Base interactions energy: -591.382 where: short stacking energy: -268.572 Base-Backbone interact. energy: -2.135 local terms energy: -274.318198 where: bonds (distance) C4'-P energy: -43.229 bonds (distance) P-C4' energy: -56.534 flat angles C4'-P-C4' energy: -61.001 flat angles P-C4'-P energy: -46.332 tors. eta vs tors. theta energy: -67.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -836.832272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.832272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.832272 (E_RNA) where: Base-Base interactions energy: -561.253 where: short stacking energy: -234.831 Base-Backbone interact. energy: 0.331 local terms energy: -275.910343 where: bonds (distance) C4'-P energy: -42.854 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -71.256 flat angles P-C4'-P energy: -42.228 tors. eta vs tors. theta energy: -60.248 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: 128 Temperature: 1.250000 Total energy: -760.745086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.745086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.745086 (E_RNA) where: Base-Base interactions energy: -498.615 where: short stacking energy: -228.234 Base-Backbone interact. energy: -1.454 local terms energy: -260.676318 where: bonds (distance) C4'-P energy: -53.430 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -59.414 flat angles P-C4'-P energy: -37.714 tors. eta vs tors. theta energy: -50.030 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -619.128467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.128467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.128467 (E_RNA) where: Base-Base interactions energy: -402.398 where: short stacking energy: -179.548 Base-Backbone interact. energy: -0.973 local terms energy: -215.757058 where: bonds (distance) C4'-P energy: -51.773 bonds (distance) P-C4' energy: -52.644 flat angles C4'-P-C4' energy: -45.704 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -31.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -457.053953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.053953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.053953 (E_RNA) where: Base-Base interactions energy: -282.292 where: short stacking energy: -127.626 Base-Backbone interact. energy: 0.530 local terms energy: -175.291580 where: bonds (distance) C4'-P energy: -42.878 bonds (distance) P-C4' energy: -38.741 flat angles C4'-P-C4' energy: -57.975 flat angles P-C4'-P energy: -28.135 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1130.907533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.907533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.907533 (E_RNA) where: Base-Base interactions energy: -774.264 where: short stacking energy: -343.574 Base-Backbone interact. energy: -2.063 local terms energy: -354.580597 where: bonds (distance) C4'-P energy: -55.999 bonds (distance) P-C4' energy: -69.754 flat angles C4'-P-C4' energy: -79.137 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: -105.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1114.094787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.094787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.094787 (E_RNA) where: Base-Base interactions energy: -756.181 where: short stacking energy: -346.869 Base-Backbone interact. energy: 0.548 local terms energy: -358.462508 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -70.272 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -105.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1078.454986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.454986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.454986 (E_RNA) where: Base-Base interactions energy: -768.831 where: short stacking energy: -340.968 Base-Backbone interact. energy: -0.010 local terms energy: -309.614025 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -58.875 flat angles C4'-P-C4' energy: -60.116 flat angles P-C4'-P energy: -40.286 tors. eta vs tors. theta energy: -86.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -989.249350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.249350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.249350 (E_RNA) where: Base-Base interactions energy: -701.000 where: short stacking energy: -317.388 Base-Backbone interact. energy: -1.529 local terms energy: -286.720587 where: bonds (distance) C4'-P energy: -53.827 bonds (distance) P-C4' energy: -56.965 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -35.396 tors. eta vs tors. theta energy: -77.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -979.661767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.661767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.661767 (E_RNA) where: Base-Base interactions energy: -690.375 where: short stacking energy: -282.437 Base-Backbone interact. energy: 3.798 local terms energy: -293.084338 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -50.651 flat angles C4'-P-C4' energy: -59.658 flat angles P-C4'-P energy: -43.985 tors. eta vs tors. theta energy: -75.130 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: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -886.717969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.717969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.717969 (E_RNA) where: Base-Base interactions energy: -604.264 where: short stacking energy: -276.878 Base-Backbone interact. energy: 0.613 local terms energy: -283.067125 where: bonds (distance) C4'-P energy: -54.286 bonds (distance) P-C4' energy: -57.957 flat angles C4'-P-C4' energy: -59.660 flat angles P-C4'-P energy: -36.208 tors. eta vs tors. theta energy: -74.957 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: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -760.790180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.790180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.790180 (E_RNA) where: Base-Base interactions energy: -508.738 where: short stacking energy: -222.435 Base-Backbone interact. energy: -0.917 local terms energy: -251.135161 where: bonds (distance) C4'-P energy: -45.951 bonds (distance) P-C4' energy: -56.607 flat angles C4'-P-C4' energy: -53.965 flat angles P-C4'-P energy: -46.420 tors. eta vs tors. theta energy: -48.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -684.406741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.406741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.406741 (E_RNA) where: Base-Base interactions energy: -428.392 where: short stacking energy: -197.425 Base-Backbone interact. energy: -1.228 local terms energy: -254.786583 where: bonds (distance) C4'-P energy: -62.157 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -53.061 flat angles P-C4'-P energy: -36.620 tors. eta vs tors. theta energy: -42.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -743.375002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.375002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.375002 (E_RNA) where: Base-Base interactions energy: -474.006 where: short stacking energy: -204.606 Base-Backbone interact. energy: -0.690 local terms energy: -268.679017 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -61.521 flat angles P-C4'-P energy: -39.338 tors. eta vs tors. theta energy: -51.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -462.194034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.194034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.194034 (E_RNA) where: Base-Base interactions energy: -251.402 where: short stacking energy: -131.947 Base-Backbone interact. energy: -1.059 local terms energy: -209.733043 where: bonds (distance) C4'-P energy: -52.970 bonds (distance) P-C4' energy: -50.580 flat angles C4'-P-C4' energy: -51.267 flat angles P-C4'-P energy: -24.388 tors. eta vs tors. theta energy: -30.528 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: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1135.511279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.511279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.511279 (E_RNA) where: Base-Base interactions energy: -784.390 where: short stacking energy: -337.480 Base-Backbone interact. energy: -1.389 local terms energy: -349.732336 where: bonds (distance) C4'-P energy: -65.245 bonds (distance) P-C4' energy: -57.259 flat angles C4'-P-C4' energy: -73.530 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -101.495 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: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1101.032572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.032572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.032572 (E_RNA) where: Base-Base interactions energy: -742.257 where: short stacking energy: -343.274 Base-Backbone interact. energy: -0.359 local terms energy: -358.416708 where: bonds (distance) C4'-P energy: -67.380 bonds (distance) P-C4' energy: -64.952 flat angles C4'-P-C4' energy: -77.209 flat angles P-C4'-P energy: -48.570 tors. eta vs tors. theta energy: -100.307 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: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1087.439989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.439989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.439989 (E_RNA) where: Base-Base interactions energy: -759.275 where: short stacking energy: -361.049 Base-Backbone interact. energy: 1.984 local terms energy: -330.149436 where: bonds (distance) C4'-P energy: -61.664 bonds (distance) P-C4' energy: -63.041 flat angles C4'-P-C4' energy: -72.466 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: -97.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -994.019651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.019651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.019651 (E_RNA) where: Base-Base interactions energy: -690.364 where: short stacking energy: -288.907 Base-Backbone interact. energy: 0.304 local terms energy: -303.959518 where: bonds (distance) C4'-P energy: -42.364 bonds (distance) P-C4' energy: -70.287 flat angles C4'-P-C4' energy: -71.237 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -74.768 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: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -950.205212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.205212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.205212 (E_RNA) where: Base-Base interactions energy: -671.701 where: short stacking energy: -283.147 Base-Backbone interact. energy: 2.504 local terms energy: -281.007979 where: bonds (distance) C4'-P energy: -56.753 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -61.114 flat angles P-C4'-P energy: -36.450 tors. eta vs tors. theta energy: -67.712 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -870.303888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.303888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.303888 (E_RNA) where: Base-Base interactions energy: -590.326 where: short stacking energy: -271.067 Base-Backbone interact. energy: -2.423 local terms energy: -277.555041 where: bonds (distance) C4'-P energy: -58.929 bonds (distance) P-C4' energy: -54.094 flat angles C4'-P-C4' energy: -61.350 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: -67.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -782.019979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.019979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.019979 (E_RNA) where: Base-Base interactions energy: -517.147 where: short stacking energy: -222.976 Base-Backbone interact. energy: -1.454 local terms energy: -263.418230 where: bonds (distance) C4'-P energy: -55.203 bonds (distance) P-C4' energy: -58.842 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -33.431 tors. eta vs tors. theta energy: -51.126 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: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -672.294941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.294941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.294941 (E_RNA) where: Base-Base interactions energy: -443.189 where: short stacking energy: -199.540 Base-Backbone interact. energy: 0.407 local terms energy: -229.512511 where: bonds (distance) C4'-P energy: -43.165 bonds (distance) P-C4' energy: -53.770 flat angles C4'-P-C4' energy: -49.048 flat angles P-C4'-P energy: -32.282 tors. eta vs tors. theta energy: -51.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -738.056751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.056751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.056751 (E_RNA) where: Base-Base interactions energy: -477.970 where: short stacking energy: -246.302 Base-Backbone interact. energy: -0.833 local terms energy: -259.253986 where: bonds (distance) C4'-P energy: -53.308 bonds (distance) P-C4' energy: -58.943 flat angles C4'-P-C4' energy: -60.510 flat angles P-C4'-P energy: -25.500 tors. eta vs tors. theta energy: -60.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -463.403302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.403302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.403302 (E_RNA) where: Base-Base interactions energy: -263.105 where: short stacking energy: -134.194 Base-Backbone interact. energy: -0.548 local terms energy: -199.750003 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -51.026 flat angles C4'-P-C4' energy: -55.100 flat angles P-C4'-P energy: -30.253 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1131.373771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.373771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.373771 (E_RNA) where: Base-Base interactions energy: -765.219 where: short stacking energy: -346.735 Base-Backbone interact. energy: -2.646 local terms energy: -363.508991 where: bonds (distance) C4'-P energy: -57.837 bonds (distance) P-C4' energy: -73.519 flat angles C4'-P-C4' energy: -73.208 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -103.872 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: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1086.793316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.793316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.793316 (E_RNA) where: Base-Base interactions energy: -758.251 where: short stacking energy: -344.655 Base-Backbone interact. energy: -1.175 local terms energy: -327.367518 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -59.197 flat angles C4'-P-C4' energy: -70.079 flat angles P-C4'-P energy: -46.495 tors. eta vs tors. theta energy: -93.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1083.195183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.195183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.195183 (E_RNA) where: Base-Base interactions energy: -760.697 where: short stacking energy: -323.330 Base-Backbone interact. energy: 5.412 local terms energy: -327.909760 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -65.704 flat angles C4'-P-C4' energy: -64.154 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -88.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -999.387848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.387848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.387848 (E_RNA) where: Base-Base interactions energy: -685.289 where: short stacking energy: -315.850 Base-Backbone interact. energy: -1.515 local terms energy: -312.583812 where: bonds (distance) C4'-P energy: -62.648 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -67.307 flat angles P-C4'-P energy: -31.540 tors. eta vs tors. theta energy: -84.822 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: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -982.841060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.841060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.841060 (E_RNA) where: Base-Base interactions energy: -666.931 where: short stacking energy: -311.495 Base-Backbone interact. energy: -0.347 local terms energy: -315.562897 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -66.476 flat angles C4'-P-C4' energy: -69.665 flat angles P-C4'-P energy: -31.508 tors. eta vs tors. theta energy: -89.589 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: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -868.427398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.427398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.427398 (E_RNA) where: Base-Base interactions energy: -591.903 where: short stacking energy: -266.553 Base-Backbone interact. energy: -0.220 local terms energy: -276.304053 where: bonds (distance) C4'-P energy: -54.535 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -69.351 flat angles P-C4'-P energy: -38.023 tors. eta vs tors. theta energy: -54.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -778.610701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.610701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.610701 (E_RNA) where: Base-Base interactions energy: -514.033 where: short stacking energy: -234.776 Base-Backbone interact. energy: -0.412 local terms energy: -264.165289 where: bonds (distance) C4'-P energy: -57.726 bonds (distance) P-C4' energy: -51.101 flat angles C4'-P-C4' energy: -65.768 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -54.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -768.503760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.503760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.503760 (E_RNA) where: Base-Base interactions energy: -520.690 where: short stacking energy: -237.985 Base-Backbone interact. energy: 0.615 local terms energy: -248.428832 where: bonds (distance) C4'-P energy: -49.327 bonds (distance) P-C4' energy: -59.148 flat angles C4'-P-C4' energy: -52.124 flat angles P-C4'-P energy: -27.751 tors. eta vs tors. theta energy: -60.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -678.484327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.484327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.484327 (E_RNA) where: Base-Base interactions energy: -457.054 where: short stacking energy: -217.288 Base-Backbone interact. energy: 2.514 local terms energy: -223.944575 where: bonds (distance) C4'-P energy: -43.906 bonds (distance) P-C4' energy: -63.452 flat angles C4'-P-C4' energy: -56.914 flat angles P-C4'-P energy: -17.916 tors. eta vs tors. theta energy: -41.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -406.416095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.416095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.416095 (E_RNA) where: Base-Base interactions energy: -201.141 where: short stacking energy: -119.866 Base-Backbone interact. energy: 0.809 local terms energy: -206.083847 where: bonds (distance) C4'-P energy: -48.754 bonds (distance) P-C4' energy: -47.533 flat angles C4'-P-C4' energy: -63.308 flat angles P-C4'-P energy: -33.565 tors. eta vs tors. theta energy: -12.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1146.554074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.554074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.554074 (E_RNA) where: Base-Base interactions energy: -792.100 where: short stacking energy: -356.492 Base-Backbone interact. energy: -1.936 local terms energy: -352.518255 where: bonds (distance) C4'-P energy: -66.713 bonds (distance) P-C4' energy: -60.910 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -108.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1104.265051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.265051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.265051 (E_RNA) where: Base-Base interactions energy: -756.684 where: short stacking energy: -335.407 Base-Backbone interact. energy: -1.613 local terms energy: -345.968321 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -58.333 flat angles C4'-P-C4' energy: -72.273 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -97.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1097.824801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.824801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.824801 (E_RNA) where: Base-Base interactions energy: -772.236 where: short stacking energy: -339.446 Base-Backbone interact. energy: -1.610 local terms energy: -323.979503 where: bonds (distance) C4'-P energy: -70.407 bonds (distance) P-C4' energy: -55.658 flat angles C4'-P-C4' energy: -69.749 flat angles P-C4'-P energy: -32.735 tors. eta vs tors. theta energy: -95.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -968.787029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.787029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.787029 (E_RNA) where: Base-Base interactions energy: -649.807 where: short stacking energy: -307.512 Base-Backbone interact. energy: 1.639 local terms energy: -320.619398 where: bonds (distance) C4'-P energy: -55.091 bonds (distance) P-C4' energy: -60.712 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -87.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -980.811924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.811924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.811924 (E_RNA) where: Base-Base interactions energy: -681.142 where: short stacking energy: -288.488 Base-Backbone interact. energy: -1.299 local terms energy: -298.371784 where: bonds (distance) C4'-P energy: -56.789 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -64.261 flat angles P-C4'-P energy: -34.019 tors. eta vs tors. theta energy: -79.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -838.204228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.204228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.204228 (E_RNA) where: Base-Base interactions energy: -577.971 where: short stacking energy: -244.840 Base-Backbone interact. energy: -1.004 local terms energy: -259.228796 where: bonds (distance) C4'-P energy: -57.071 bonds (distance) P-C4' energy: -43.056 flat angles C4'-P-C4' energy: -63.650 flat angles P-C4'-P energy: -37.852 tors. eta vs tors. theta energy: -57.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -768.665835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.665835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.665835 (E_RNA) where: Base-Base interactions energy: -508.409 where: short stacking energy: -223.922 Base-Backbone interact. energy: 0.211 local terms energy: -260.468038 where: bonds (distance) C4'-P energy: -51.159 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -53.357 flat angles P-C4'-P energy: -41.065 tors. eta vs tors. theta energy: -49.307 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: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -747.106905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.106905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.106905 (E_RNA) where: Base-Base interactions energy: -504.740 where: short stacking energy: -234.705 Base-Backbone interact. energy: -0.878 local terms energy: -241.489089 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -47.878 flat angles C4'-P-C4' energy: -51.899 flat angles P-C4'-P energy: -30.993 tors. eta vs tors. theta energy: -47.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -688.766671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.766671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.766671 (E_RNA) where: Base-Base interactions energy: -466.525 where: short stacking energy: -201.698 Base-Backbone interact. energy: 0.381 local terms energy: -222.622503 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -51.824 flat angles P-C4'-P energy: -18.593 tors. eta vs tors. theta energy: -33.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -477.698469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.698469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.698469 (E_RNA) where: Base-Base interactions energy: -284.870 where: short stacking energy: -142.009 Base-Backbone interact. energy: 0.585 local terms energy: -193.413277 where: bonds (distance) C4'-P energy: -39.934 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -53.685 flat angles P-C4'-P energy: -22.221 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1150.556892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.556892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.556892 (E_RNA) where: Base-Base interactions energy: -796.038 where: short stacking energy: -361.809 Base-Backbone interact. energy: -1.969 local terms energy: -352.550005 where: bonds (distance) C4'-P energy: -62.297 bonds (distance) P-C4' energy: -66.512 flat angles C4'-P-C4' energy: -69.898 flat angles P-C4'-P energy: -39.945 tors. eta vs tors. theta energy: -113.898 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: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1111.859915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.859915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.859915 (E_RNA) where: Base-Base interactions energy: -764.733 where: short stacking energy: -335.059 Base-Backbone interact. energy: -3.878 local terms energy: -343.248307 where: bonds (distance) C4'-P energy: -60.004 bonds (distance) P-C4' energy: -64.459 flat angles C4'-P-C4' energy: -73.528 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -95.351 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: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1085.989215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.989215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.989215 (E_RNA) where: Base-Base interactions energy: -740.838 where: short stacking energy: -336.578 Base-Backbone interact. energy: -0.219 local terms energy: -344.932316 where: bonds (distance) C4'-P energy: -58.638 bonds (distance) P-C4' energy: -71.243 flat angles C4'-P-C4' energy: -67.336 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -100.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -978.603923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.603923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.603923 (E_RNA) where: Base-Base interactions energy: -675.463 where: short stacking energy: -288.758 Base-Backbone interact. energy: -0.910 local terms energy: -302.231590 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -66.357 flat angles P-C4'-P energy: -45.826 tors. eta vs tors. theta energy: -73.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -985.661291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.661291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.661291 (E_RNA) where: Base-Base interactions energy: -674.964 where: short stacking energy: -292.139 Base-Backbone interact. energy: 2.219 local terms energy: -312.916228 where: bonds (distance) C4'-P energy: -54.218 bonds (distance) P-C4' energy: -63.924 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -79.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -825.286638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.286638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.286638 (E_RNA) where: Base-Base interactions energy: -549.438 where: short stacking energy: -235.475 Base-Backbone interact. energy: 0.923 local terms energy: -276.771479 where: bonds (distance) C4'-P energy: -61.929 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -64.926 flat angles P-C4'-P energy: -44.209 tors. eta vs tors. theta energy: -47.564 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: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -756.343330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.343330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.343330 (E_RNA) where: Base-Base interactions energy: -490.424 where: short stacking energy: -227.500 Base-Backbone interact. energy: 0.245 local terms energy: -266.164232 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -52.490 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -51.564 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: 133 Temperature: 1.250000 Total energy: -741.798539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.798539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.798539 (E_RNA) where: Base-Base interactions energy: -496.384 where: short stacking energy: -232.882 Base-Backbone interact. energy: -0.955 local terms energy: -244.459477 where: bonds (distance) C4'-P energy: -51.763 bonds (distance) P-C4' energy: -52.879 flat angles C4'-P-C4' energy: -52.958 flat angles P-C4'-P energy: -29.031 tors. eta vs tors. theta energy: -57.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -664.189527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.189527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.189527 (E_RNA) where: Base-Base interactions energy: -443.311 where: short stacking energy: -209.597 Base-Backbone interact. energy: 0.451 local terms energy: -221.329482 where: bonds (distance) C4'-P energy: -35.362 bonds (distance) P-C4' energy: -57.564 flat angles C4'-P-C4' energy: -55.828 flat angles P-C4'-P energy: -32.317 tors. eta vs tors. theta energy: -40.258 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: 133 Temperature: 1.350000 Total energy: -397.163505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.163505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.163505 (E_RNA) where: Base-Base interactions energy: -204.965 where: short stacking energy: -104.510 Base-Backbone interact. energy: -1.050 local terms energy: -191.148640 where: bonds (distance) C4'-P energy: -54.744 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -57.281 flat angles P-C4'-P energy: -21.716 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1150.712601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.712601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.712601 (E_RNA) where: Base-Base interactions energy: -788.918 where: short stacking energy: -353.930 Base-Backbone interact. energy: -0.286 local terms energy: -361.508691 where: bonds (distance) C4'-P energy: -70.399 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -73.960 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -103.631 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: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1098.664817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.664817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.664817 (E_RNA) where: Base-Base interactions energy: -766.174 where: short stacking energy: -337.310 Base-Backbone interact. energy: -0.671 local terms energy: -331.819813 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -63.648 flat angles C4'-P-C4' energy: -74.099 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: -92.567 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: 134 Temperature: 1.000000 Total energy: -1088.148536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.148536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.148536 (E_RNA) where: Base-Base interactions energy: -749.062 where: short stacking energy: -325.992 Base-Backbone interact. energy: -2.464 local terms energy: -336.621960 where: bonds (distance) C4'-P energy: -59.898 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -68.098 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: -99.479 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: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -990.643204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.643204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.643204 (E_RNA) where: Base-Base interactions energy: -682.183 where: short stacking energy: -289.135 Base-Backbone interact. energy: 0.005 local terms energy: -308.465577 where: bonds (distance) C4'-P energy: -55.464 bonds (distance) P-C4' energy: -66.277 flat angles C4'-P-C4' energy: -73.243 flat angles P-C4'-P energy: -37.110 tors. eta vs tors. theta energy: -76.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -951.102785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.102785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.102785 (E_RNA) where: Base-Base interactions energy: -647.039 where: short stacking energy: -280.996 Base-Backbone interact. energy: -1.446 local terms energy: -302.618092 where: bonds (distance) C4'-P energy: -62.372 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -64.018 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -71.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -815.152303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.152303 (E_RNA) where: Base-Base interactions energy: -554.443 where: short stacking energy: -264.787 Base-Backbone interact. energy: 0.854 local terms energy: -261.563072 where: bonds (distance) C4'-P energy: -55.355 bonds (distance) P-C4' energy: -52.467 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -36.409 tors. eta vs tors. theta energy: -56.308 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: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -761.115720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.115720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.115720 (E_RNA) where: Base-Base interactions energy: -485.903 where: short stacking energy: -233.326 Base-Backbone interact. energy: -1.280 local terms energy: -273.933065 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -60.747 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -50.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -786.788038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.788038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.788038 (E_RNA) where: Base-Base interactions energy: -510.066 where: short stacking energy: -231.640 Base-Backbone interact. energy: -1.798 local terms energy: -274.924289 where: bonds (distance) C4'-P energy: -51.425 bonds (distance) P-C4' energy: -55.470 flat angles C4'-P-C4' energy: -61.819 flat angles P-C4'-P energy: -41.999 tors. eta vs tors. theta energy: -64.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -623.948576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.948576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.948576 (E_RNA) where: Base-Base interactions energy: -400.718 where: short stacking energy: -184.287 Base-Backbone interact. energy: -1.311 local terms energy: -221.920464 where: bonds (distance) C4'-P energy: -46.115 bonds (distance) P-C4' energy: -54.908 flat angles C4'-P-C4' energy: -57.540 flat angles P-C4'-P energy: -31.812 tors. eta vs tors. theta energy: -31.546 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: 134 Temperature: 1.350000 Total energy: -403.267374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.267374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.267374 (E_RNA) where: Base-Base interactions energy: -213.459 where: short stacking energy: -114.059 Base-Backbone interact. energy: -0.749 local terms energy: -189.060258 where: bonds (distance) C4'-P energy: -53.318 bonds (distance) P-C4' energy: -59.028 flat angles C4'-P-C4' energy: -42.911 flat angles P-C4'-P energy: -19.442 tors. eta vs tors. theta energy: -14.361 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: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1122.230752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.230752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.230752 (E_RNA) where: Base-Base interactions energy: -786.686 where: short stacking energy: -352.156 Base-Backbone interact. energy: -1.202 local terms energy: -334.343123 where: bonds (distance) C4'-P energy: -52.322 bonds (distance) P-C4' energy: -61.870 flat angles C4'-P-C4' energy: -74.011 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -94.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1107.529534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.529534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.529534 (E_RNA) where: Base-Base interactions energy: -764.711 where: short stacking energy: -340.725 Base-Backbone interact. energy: -0.386 local terms energy: -342.433062 where: bonds (distance) C4'-P energy: -54.472 bonds (distance) P-C4' energy: -66.423 flat angles C4'-P-C4' energy: -80.368 flat angles P-C4'-P energy: -45.658 tors. eta vs tors. theta energy: -95.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1075.779264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.779264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.779264 (E_RNA) where: Base-Base interactions energy: -733.738 where: short stacking energy: -322.225 Base-Backbone interact. energy: -2.074 local terms energy: -339.966929 where: bonds (distance) C4'-P energy: -67.266 bonds (distance) P-C4' energy: -63.609 flat angles C4'-P-C4' energy: -74.511 flat angles P-C4'-P energy: -42.658 tors. eta vs tors. theta energy: -91.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -982.029450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.029450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.029450 (E_RNA) where: Base-Base interactions energy: -660.585 where: short stacking energy: -289.261 Base-Backbone interact. energy: -0.351 local terms energy: -321.093672 where: bonds (distance) C4'-P energy: -61.636 bonds (distance) P-C4' energy: -69.919 flat angles C4'-P-C4' energy: -66.616 flat angles P-C4'-P energy: -46.377 tors. eta vs tors. theta energy: -76.546 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: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -965.039204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.039204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.039204 (E_RNA) where: Base-Base interactions energy: -668.201 where: short stacking energy: -293.122 Base-Backbone interact. energy: -1.766 local terms energy: -295.072450 where: bonds (distance) C4'-P energy: -65.022 bonds (distance) P-C4' energy: -53.145 flat angles C4'-P-C4' energy: -65.359 flat angles P-C4'-P energy: -34.635 tors. eta vs tors. theta energy: -76.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -811.455300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.455300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.455300 (E_RNA) where: Base-Base interactions energy: -568.118 where: short stacking energy: -262.606 Base-Backbone interact. energy: 0.632 local terms energy: -243.969472 where: bonds (distance) C4'-P energy: -35.993 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -60.926 flat angles P-C4'-P energy: -29.484 tors. eta vs tors. theta energy: -54.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -718.982203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.982203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.982203 (E_RNA) where: Base-Base interactions energy: -479.951 where: short stacking energy: -208.702 Base-Backbone interact. energy: -0.782 local terms energy: -238.248722 where: bonds (distance) C4'-P energy: -49.286 bonds (distance) P-C4' energy: -56.539 flat angles C4'-P-C4' energy: -53.601 flat angles P-C4'-P energy: -36.054 tors. eta vs tors. theta energy: -42.769 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: 135 Temperature: 1.250000 Total energy: -764.450366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.450366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.450366 (E_RNA) where: Base-Base interactions energy: -519.295 where: short stacking energy: -232.581 Base-Backbone interact. energy: 3.738 local terms energy: -248.894009 where: bonds (distance) C4'-P energy: -55.070 bonds (distance) P-C4' energy: -46.046 flat angles C4'-P-C4' energy: -52.920 flat angles P-C4'-P energy: -39.326 tors. eta vs tors. theta energy: -55.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -678.888367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.888367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.888367 (E_RNA) where: Base-Base interactions energy: -447.362 where: short stacking energy: -191.688 Base-Backbone interact. energy: -0.771 local terms energy: -230.755493 where: bonds (distance) C4'-P energy: -50.668 bonds (distance) P-C4' energy: -53.646 flat angles C4'-P-C4' energy: -61.362 flat angles P-C4'-P energy: -30.937 tors. eta vs tors. theta energy: -34.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -405.613908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.613908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.613908 (E_RNA) where: Base-Base interactions energy: -217.219 where: short stacking energy: -127.791 Base-Backbone interact. energy: 1.880 local terms energy: -190.274778 where: bonds (distance) C4'-P energy: -46.949 bonds (distance) P-C4' energy: -50.118 flat angles C4'-P-C4' energy: -35.060 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1129.793228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.793228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.793228 (E_RNA) where: Base-Base interactions energy: -786.223 where: short stacking energy: -351.773 Base-Backbone interact. energy: -1.364 local terms energy: -342.205501 where: bonds (distance) C4'-P energy: -64.360 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -66.960 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -102.968 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: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1103.690305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.690305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.690305 (E_RNA) where: Base-Base interactions energy: -760.913 where: short stacking energy: -327.453 Base-Backbone interact. energy: -0.869 local terms energy: -341.908959 where: bonds (distance) C4'-P energy: -68.329 bonds (distance) P-C4' energy: -59.818 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -51.628 tors. eta vs tors. theta energy: -92.354 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: 136 Temperature: 1.000000 Total energy: -1087.913001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.913001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.913001 (E_RNA) where: Base-Base interactions energy: -757.314 where: short stacking energy: -328.146 Base-Backbone interact. energy: -1.339 local terms energy: -329.259361 where: bonds (distance) C4'-P energy: -63.681 bonds (distance) P-C4' energy: -67.502 flat angles C4'-P-C4' energy: -68.683 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -87.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -980.200809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.200809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.200809 (E_RNA) where: Base-Base interactions energy: -671.712 where: short stacking energy: -290.960 Base-Backbone interact. energy: -1.519 local terms energy: -306.970125 where: bonds (distance) C4'-P energy: -61.295 bonds (distance) P-C4' energy: -53.364 flat angles C4'-P-C4' energy: -68.263 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: -74.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -955.336417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.336417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.336417 (E_RNA) where: Base-Base interactions energy: -664.392 where: short stacking energy: -279.963 Base-Backbone interact. energy: -0.199 local terms energy: -290.745437 where: bonds (distance) C4'-P energy: -51.732 bonds (distance) P-C4' energy: -50.743 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -41.060 tors. eta vs tors. theta energy: -78.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -838.936302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.936302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.936302 (E_RNA) where: Base-Base interactions energy: -577.927 where: short stacking energy: -271.326 Base-Backbone interact. energy: -0.099 local terms energy: -260.910784 where: bonds (distance) C4'-P energy: -52.369 bonds (distance) P-C4' energy: -56.827 flat angles C4'-P-C4' energy: -48.486 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: -63.103 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: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -831.499349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.499349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.499349 (E_RNA) where: Base-Base interactions energy: -549.950 where: short stacking energy: -262.925 Base-Backbone interact. energy: -1.851 local terms energy: -279.698108 where: bonds (distance) C4'-P energy: -57.226 bonds (distance) P-C4' energy: -50.490 flat angles C4'-P-C4' energy: -64.076 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -58.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -723.129750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.129750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.129750 (E_RNA) where: Base-Base interactions energy: -481.547 where: short stacking energy: -212.610 Base-Backbone interact. energy: -0.479 local terms energy: -241.104140 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -57.599 flat angles C4'-P-C4' energy: -56.580 flat angles P-C4'-P energy: -29.143 tors. eta vs tors. theta energy: -46.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -681.174528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.174528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.174528 (E_RNA) where: Base-Base interactions energy: -454.834 where: short stacking energy: -193.827 Base-Backbone interact. energy: 5.379 local terms energy: -231.719121 where: bonds (distance) C4'-P energy: -43.035 bonds (distance) P-C4' energy: -58.440 flat angles C4'-P-C4' energy: -62.632 flat angles P-C4'-P energy: -32.300 tors. eta vs tors. theta energy: -35.313 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: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -411.538705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.538705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.538705 (E_RNA) where: Base-Base interactions energy: -199.902 where: short stacking energy: -124.513 Base-Backbone interact. energy: -0.495 local terms energy: -211.141511 where: bonds (distance) C4'-P energy: -55.213 bonds (distance) P-C4' energy: -57.263 flat angles C4'-P-C4' energy: -54.784 flat angles P-C4'-P energy: -35.115 tors. eta vs tors. theta energy: -8.767 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: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1132.627350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.627350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.627350 (E_RNA) where: Base-Base interactions energy: -782.062 where: short stacking energy: -341.802 Base-Backbone interact. energy: -0.955 local terms energy: -349.611140 where: bonds (distance) C4'-P energy: -70.737 bonds (distance) P-C4' energy: -65.551 flat angles C4'-P-C4' energy: -74.680 flat angles P-C4'-P energy: -47.863 tors. eta vs tors. theta energy: -90.781 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: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1119.907205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.907205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.907205 (E_RNA) where: Base-Base interactions energy: -785.095 where: short stacking energy: -343.655 Base-Backbone interact. energy: -1.179 local terms energy: -333.632796 where: bonds (distance) C4'-P energy: -60.848 bonds (distance) P-C4' energy: -60.922 flat angles C4'-P-C4' energy: -70.903 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -98.330 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: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1083.776183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.776183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.776183 (E_RNA) where: Base-Base interactions energy: -754.733 where: short stacking energy: -328.715 Base-Backbone interact. energy: -0.560 local terms energy: -328.482876 where: bonds (distance) C4'-P energy: -60.098 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -45.221 tors. eta vs tors. theta energy: -91.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1012.945798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.945798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.945798 (E_RNA) where: Base-Base interactions energy: -700.124 where: short stacking energy: -310.443 Base-Backbone interact. energy: 0.750 local terms energy: -313.571193 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -54.666 flat angles C4'-P-C4' energy: -63.518 flat angles P-C4'-P energy: -48.810 tors. eta vs tors. theta energy: -86.691 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: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -964.398670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.398670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.398670 (E_RNA) where: Base-Base interactions energy: -661.122 where: short stacking energy: -292.476 Base-Backbone interact. energy: -0.574 local terms energy: -302.703082 where: bonds (distance) C4'-P energy: -57.670 bonds (distance) P-C4' energy: -60.728 flat angles C4'-P-C4' energy: -68.600 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -65.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -835.521143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.521143 (E_RNA) where: Base-Base interactions energy: -562.856 where: short stacking energy: -265.292 Base-Backbone interact. energy: 1.047 local terms energy: -273.711997 where: bonds (distance) C4'-P energy: -56.546 bonds (distance) P-C4' energy: -49.925 flat angles C4'-P-C4' energy: -64.809 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -61.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -842.734829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.734829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.734829 (E_RNA) where: Base-Base interactions energy: -560.453 where: short stacking energy: -264.633 Base-Backbone interact. energy: -0.724 local terms energy: -281.558189 where: bonds (distance) C4'-P energy: -52.770 bonds (distance) P-C4' energy: -62.281 flat angles C4'-P-C4' energy: -59.388 flat angles P-C4'-P energy: -33.134 tors. eta vs tors. theta energy: -73.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -747.130928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.130928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.130928 (E_RNA) where: Base-Base interactions energy: -501.694 where: short stacking energy: -220.271 Base-Backbone interact. energy: -0.976 local terms energy: -244.460583 where: bonds (distance) C4'-P energy: -45.406 bonds (distance) P-C4' energy: -66.478 flat angles C4'-P-C4' energy: -58.797 flat angles P-C4'-P energy: -31.359 tors. eta vs tors. theta energy: -42.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -631.762181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.762181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.762181 (E_RNA) where: Base-Base interactions energy: -406.929 where: short stacking energy: -187.596 Base-Backbone interact. energy: -0.105 local terms energy: -224.727542 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -54.004 flat angles C4'-P-C4' energy: -46.781 flat angles P-C4'-P energy: -26.846 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: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -429.256343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.256343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.256343 (E_RNA) where: Base-Base interactions energy: -224.228 where: short stacking energy: -110.700 Base-Backbone interact. energy: 1.187 local terms energy: -206.215037 where: bonds (distance) C4'-P energy: -58.151 bonds (distance) P-C4' energy: -62.341 flat angles C4'-P-C4' energy: -48.145 flat angles P-C4'-P energy: -25.827 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: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1158.803181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.803181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.803181 (E_RNA) where: Base-Base interactions energy: -807.485 where: short stacking energy: -357.658 Base-Backbone interact. energy: -1.419 local terms energy: -349.899864 where: bonds (distance) C4'-P energy: -64.012 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -71.308 flat angles P-C4'-P energy: -48.409 tors. eta vs tors. theta energy: -104.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1107.042824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.042824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.042824 (E_RNA) where: Base-Base interactions energy: -762.830 where: short stacking energy: -344.020 Base-Backbone interact. energy: -0.561 local terms energy: -343.651930 where: bonds (distance) C4'-P energy: -62.931 bonds (distance) P-C4' energy: -61.604 flat angles C4'-P-C4' energy: -78.869 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -100.374 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: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1067.331199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.331199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.331199 (E_RNA) where: Base-Base interactions energy: -745.469 where: short stacking energy: -321.496 Base-Backbone interact. energy: -0.883 local terms energy: -320.979589 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -61.017 flat angles C4'-P-C4' energy: -68.966 flat angles P-C4'-P energy: -37.718 tors. eta vs tors. theta energy: -87.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1006.248483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.248483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.248483 (E_RNA) where: Base-Base interactions energy: -712.929 where: short stacking energy: -300.287 Base-Backbone interact. energy: -2.295 local terms energy: -291.024173 where: bonds (distance) C4'-P energy: -54.393 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -58.405 flat angles P-C4'-P energy: -36.078 tors. eta vs tors. theta energy: -84.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -961.870540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.870540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.870540 (E_RNA) where: Base-Base interactions energy: -635.760 where: short stacking energy: -280.663 Base-Backbone interact. energy: -0.267 local terms energy: -325.844486 where: bonds (distance) C4'-P energy: -71.984 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -69.467 flat angles P-C4'-P energy: -42.414 tors. eta vs tors. theta energy: -82.010 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: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -860.066569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.066569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.066569 (E_RNA) where: Base-Base interactions energy: -578.126 where: short stacking energy: -268.982 Base-Backbone interact. energy: -0.201 local terms energy: -281.739252 where: bonds (distance) C4'-P energy: -56.811 bonds (distance) P-C4' energy: -54.275 flat angles C4'-P-C4' energy: -60.630 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: -65.010 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: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -831.847818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.847818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.847818 (E_RNA) where: Base-Base interactions energy: -555.676 where: short stacking energy: -254.885 Base-Backbone interact. energy: -1.704 local terms energy: -274.467275 where: bonds (distance) C4'-P energy: -48.848 bonds (distance) P-C4' energy: -54.067 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -40.824 tors. eta vs tors. theta energy: -69.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -752.362429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.362429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.362429 (E_RNA) where: Base-Base interactions energy: -508.050 where: short stacking energy: -232.882 Base-Backbone interact. energy: -1.024 local terms energy: -243.287864 where: bonds (distance) C4'-P energy: -48.313 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -52.761 flat angles P-C4'-P energy: -24.690 tors. eta vs tors. theta energy: -56.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -683.796217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.796217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.796217 (E_RNA) where: Base-Base interactions energy: -464.200 where: short stacking energy: -200.819 Base-Backbone interact. energy: -1.656 local terms energy: -217.940106 where: bonds (distance) C4'-P energy: -43.030 bonds (distance) P-C4' energy: -54.107 flat angles C4'-P-C4' energy: -53.114 flat angles P-C4'-P energy: -30.226 tors. eta vs tors. theta energy: -37.462 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: 138 Temperature: 1.350000 Total energy: -431.860448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.860448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.860448 (E_RNA) where: Base-Base interactions energy: -229.557 where: short stacking energy: -138.071 Base-Backbone interact. energy: -0.656 local terms energy: -201.648321 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -52.956 flat angles C4'-P-C4' energy: -48.418 flat angles P-C4'-P energy: -25.702 tors. eta vs tors. theta energy: -22.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1145.745971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.745971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.745971 (E_RNA) where: Base-Base interactions energy: -788.090 where: short stacking energy: -350.118 Base-Backbone interact. energy: -2.376 local terms energy: -355.279739 where: bonds (distance) C4'-P energy: -60.676 bonds (distance) P-C4' energy: -63.108 flat angles C4'-P-C4' energy: -73.493 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -108.252 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: 139 Temperature: 0.950000 Total energy: -1105.481514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.481514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.481514 (E_RNA) where: Base-Base interactions energy: -755.555 where: short stacking energy: -327.454 Base-Backbone interact. energy: 1.707 local terms energy: -351.633325 where: bonds (distance) C4'-P energy: -65.392 bonds (distance) P-C4' energy: -69.587 flat angles C4'-P-C4' energy: -71.241 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -99.491 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: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1061.909199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.909199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.909199 (E_RNA) where: Base-Base interactions energy: -736.326 where: short stacking energy: -314.059 Base-Backbone interact. energy: 0.740 local terms energy: -326.322758 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -66.849 flat angles C4'-P-C4' energy: -73.838 flat angles P-C4'-P energy: -37.695 tors. eta vs tors. theta energy: -87.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1017.891161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.891161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.891161 (E_RNA) where: Base-Base interactions energy: -716.596 where: short stacking energy: -314.518 Base-Backbone interact. energy: -1.007 local terms energy: -300.287688 where: bonds (distance) C4'-P energy: -55.279 bonds (distance) P-C4' energy: -53.126 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -81.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -953.367236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.367236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.367236 (E_RNA) where: Base-Base interactions energy: -663.303 where: short stacking energy: -278.388 Base-Backbone interact. energy: -0.595 local terms energy: -289.469468 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -44.499 tors. eta vs tors. theta energy: -70.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -877.229231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.229231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.229231 (E_RNA) where: Base-Base interactions energy: -605.864 where: short stacking energy: -292.417 Base-Backbone interact. energy: -1.218 local terms energy: -270.147290 where: bonds (distance) C4'-P energy: -44.831 bonds (distance) P-C4' energy: -52.920 flat angles C4'-P-C4' energy: -62.663 flat angles P-C4'-P energy: -35.379 tors. eta vs tors. theta energy: -74.354 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: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -844.397114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.397114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.397114 (E_RNA) where: Base-Base interactions energy: -549.256 where: short stacking energy: -257.244 Base-Backbone interact. energy: -1.885 local terms energy: -293.255803 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -60.777 flat angles P-C4'-P energy: -39.680 tors. eta vs tors. theta energy: -69.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -744.196736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.196736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.196736 (E_RNA) where: Base-Base interactions energy: -503.487 where: short stacking energy: -218.791 Base-Backbone interact. energy: -1.566 local terms energy: -239.143088 where: bonds (distance) C4'-P energy: -46.600 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -51.440 flat angles P-C4'-P energy: -35.185 tors. eta vs tors. theta energy: -47.148 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: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -626.448917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.448917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.448917 (E_RNA) where: Base-Base interactions energy: -416.568 where: short stacking energy: -194.475 Base-Backbone interact. energy: 3.556 local terms energy: -213.436895 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -29.285 flat angles C4'-P-C4' energy: -55.529 flat angles P-C4'-P energy: -30.490 tors. eta vs tors. theta energy: -34.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -392.262172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.262172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.262172 (E_RNA) where: Base-Base interactions energy: -201.503 where: short stacking energy: -110.433 Base-Backbone interact. energy: -1.563 local terms energy: -189.196638 where: bonds (distance) C4'-P energy: -54.902 bonds (distance) P-C4' energy: -55.378 flat angles C4'-P-C4' energy: -42.834 flat angles P-C4'-P energy: -28.057 tors. eta vs tors. theta energy: -8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1126.700377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.700377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.700377 (E_RNA) where: Base-Base interactions energy: -790.629 where: short stacking energy: -344.743 Base-Backbone interact. energy: -1.142 local terms energy: -334.929696 where: bonds (distance) C4'-P energy: -69.186 bonds (distance) P-C4' energy: -51.083 flat angles C4'-P-C4' energy: -69.332 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -95.204 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: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1109.412537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.412537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.412537 (E_RNA) where: Base-Base interactions energy: -779.735 where: short stacking energy: -339.787 Base-Backbone interact. energy: -0.893 local terms energy: -328.784898 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -67.449 flat angles C4'-P-C4' energy: -74.178 flat angles P-C4'-P energy: -38.082 tors. eta vs tors. theta energy: -92.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1043.983598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.983598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.983598 (E_RNA) where: Base-Base interactions energy: -722.036 where: short stacking energy: -327.658 Base-Backbone interact. energy: -1.285 local terms energy: -320.662983 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -53.380 flat angles C4'-P-C4' energy: -72.111 flat angles P-C4'-P energy: -44.812 tors. eta vs tors. theta energy: -87.904 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: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -988.111279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.111279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.111279 (E_RNA) where: Base-Base interactions energy: -686.228 where: short stacking energy: -288.063 Base-Backbone interact. energy: -0.096 local terms energy: -301.787782 where: bonds (distance) C4'-P energy: -63.334 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -64.338 flat angles P-C4'-P energy: -46.344 tors. eta vs tors. theta energy: -72.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -939.024605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.024605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.024605 (E_RNA) where: Base-Base interactions energy: -660.542 where: short stacking energy: -267.257 Base-Backbone interact. energy: -0.478 local terms energy: -278.004202 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -50.106 flat angles C4'-P-C4' energy: -59.082 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: -75.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -882.598086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.598086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.598086 (E_RNA) where: Base-Base interactions energy: -614.566 where: short stacking energy: -264.244 Base-Backbone interact. energy: -1.027 local terms energy: -267.005466 where: bonds (distance) C4'-P energy: -53.175 bonds (distance) P-C4' energy: -53.071 flat angles C4'-P-C4' energy: -60.058 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: -63.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -818.577746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.577746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.577746 (E_RNA) where: Base-Base interactions energy: -576.819 where: short stacking energy: -262.582 Base-Backbone interact. energy: -2.222 local terms energy: -239.536401 where: bonds (distance) C4'-P energy: -41.787 bonds (distance) P-C4' energy: -44.730 flat angles C4'-P-C4' energy: -48.744 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: -69.535 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: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -796.614076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.614076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.614076 (E_RNA) where: Base-Base interactions energy: -545.099 where: short stacking energy: -252.997 Base-Backbone interact. energy: -0.168 local terms energy: -251.346219 where: bonds (distance) C4'-P energy: -49.414 bonds (distance) P-C4' energy: -57.775 flat angles C4'-P-C4' energy: -53.152 flat angles P-C4'-P energy: -28.706 tors. eta vs tors. theta energy: -62.300 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: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -641.531158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.531158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.531158 (E_RNA) where: Base-Base interactions energy: -411.810 where: short stacking energy: -179.383 Base-Backbone interact. energy: 1.799 local terms energy: -231.520475 where: bonds (distance) C4'-P energy: -56.223 bonds (distance) P-C4' energy: -60.589 flat angles C4'-P-C4' energy: -58.550 flat angles P-C4'-P energy: -29.414 tors. eta vs tors. theta energy: -26.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -418.828919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.828919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.828919 (E_RNA) where: Base-Base interactions energy: -215.000 where: short stacking energy: -114.807 Base-Backbone interact. energy: -0.847 local terms energy: -202.981747 where: bonds (distance) C4'-P energy: -52.229 bonds (distance) P-C4' energy: -52.711 flat angles C4'-P-C4' energy: -53.869 flat angles P-C4'-P energy: -27.438 tors. eta vs tors. theta energy: -16.735 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: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1135.671611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.671611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.671611 (E_RNA) where: Base-Base interactions energy: -793.045 where: short stacking energy: -348.135 Base-Backbone interact. energy: -0.517 local terms energy: -342.109819 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -66.613 flat angles C4'-P-C4' energy: -72.598 flat angles P-C4'-P energy: -48.220 tors. eta vs tors. theta energy: -95.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1110.240663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.240663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.240663 (E_RNA) where: Base-Base interactions energy: -767.641 where: short stacking energy: -333.706 Base-Backbone interact. energy: -0.807 local terms energy: -341.792647 where: bonds (distance) C4'-P energy: -62.986 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -77.040 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: -95.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1068.604311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.604311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.604311 (E_RNA) where: Base-Base interactions energy: -732.933 where: short stacking energy: -330.006 Base-Backbone interact. energy: -1.887 local terms energy: -333.784502 where: bonds (distance) C4'-P energy: -54.444 bonds (distance) P-C4' energy: -69.945 flat angles C4'-P-C4' energy: -76.529 flat angles P-C4'-P energy: -40.608 tors. eta vs tors. theta energy: -92.259 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: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -995.566174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.566174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.566174 (E_RNA) where: Base-Base interactions energy: -696.845 where: short stacking energy: -292.074 Base-Backbone interact. energy: -2.255 local terms energy: -296.466960 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -59.223 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: -72.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -945.198504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.198504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.198504 (E_RNA) where: Base-Base interactions energy: -649.504 where: short stacking energy: -292.636 Base-Backbone interact. energy: -1.355 local terms energy: -294.339267 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -57.426 flat angles C4'-P-C4' energy: -55.813 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -78.098 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: 1 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -891.258101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.258101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.258101 (E_RNA) where: Base-Base interactions energy: -615.744 where: short stacking energy: -270.017 Base-Backbone interact. energy: -1.321 local terms energy: -274.193504 where: bonds (distance) C4'-P energy: -48.428 bonds (distance) P-C4' energy: -51.980 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -65.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -782.464268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.464268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.464268 (E_RNA) where: Base-Base interactions energy: -511.759 where: short stacking energy: -257.066 Base-Backbone interact. energy: 3.862 local terms energy: -274.566943 where: bonds (distance) C4'-P energy: -57.655 bonds (distance) P-C4' energy: -54.822 flat angles C4'-P-C4' energy: -66.929 flat angles P-C4'-P energy: -36.876 tors. eta vs tors. theta energy: -58.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -733.065241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.065241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.065241 (E_RNA) where: Base-Base interactions energy: -475.155 where: short stacking energy: -209.086 Base-Backbone interact. energy: 0.691 local terms energy: -258.600646 where: bonds (distance) C4'-P energy: -62.705 bonds (distance) P-C4' energy: -53.908 flat angles C4'-P-C4' energy: -58.030 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: -47.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -663.036684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.036684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.036684 (E_RNA) where: Base-Base interactions energy: -448.162 where: short stacking energy: -197.622 Base-Backbone interact. energy: -1.224 local terms energy: -213.651202 where: bonds (distance) C4'-P energy: -52.349 bonds (distance) P-C4' energy: -52.326 flat angles C4'-P-C4' energy: -49.110 flat angles P-C4'-P energy: -26.549 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: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -471.867460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.867460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.867460 (E_RNA) where: Base-Base interactions energy: -298.849 where: short stacking energy: -136.341 Base-Backbone interact. energy: 1.069 local terms energy: -174.087278 where: bonds (distance) C4'-P energy: -32.240 bonds (distance) P-C4' energy: -60.191 flat angles C4'-P-C4' energy: -37.882 flat angles P-C4'-P energy: -22.883 tors. eta vs tors. theta energy: -20.891 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: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1137.321885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.321885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.321885 (E_RNA) where: Base-Base interactions energy: -795.467 where: short stacking energy: -365.297 Base-Backbone interact. energy: -0.466 local terms energy: -341.389077 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -54.908 flat angles C4'-P-C4' energy: -76.754 flat angles P-C4'-P energy: -43.716 tors. eta vs tors. theta energy: -103.999 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: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1092.359925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.359925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.359925 (E_RNA) where: Base-Base interactions energy: -750.041 where: short stacking energy: -332.875 Base-Backbone interact. energy: -1.123 local terms energy: -341.195738 where: bonds (distance) C4'-P energy: -59.099 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -75.054 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -94.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1045.744317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.744317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.744317 (E_RNA) where: Base-Base interactions energy: -733.423 where: short stacking energy: -317.523 Base-Backbone interact. energy: -0.893 local terms energy: -311.428764 where: bonds (distance) C4'-P energy: -62.157 bonds (distance) P-C4' energy: -48.643 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -43.051 tors. eta vs tors. theta energy: -90.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -966.967946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.967946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.967946 (E_RNA) where: Base-Base interactions energy: -660.272 where: short stacking energy: -282.351 Base-Backbone interact. energy: -4.071 local terms energy: -302.625655 where: bonds (distance) C4'-P energy: -57.459 bonds (distance) P-C4' energy: -61.233 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -77.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -915.851674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.851674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.851674 (E_RNA) where: Base-Base interactions energy: -642.568 where: short stacking energy: -289.202 Base-Backbone interact. energy: -1.054 local terms energy: -272.230335 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -44.276 flat angles C4'-P-C4' energy: -65.411 flat angles P-C4'-P energy: -32.794 tors. eta vs tors. theta energy: -73.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -905.202619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.202619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.202619 (E_RNA) where: Base-Base interactions energy: -606.650 where: short stacking energy: -285.646 Base-Backbone interact. energy: -0.183 local terms energy: -298.369333 where: bonds (distance) C4'-P energy: -40.956 bonds (distance) P-C4' energy: -69.194 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -39.054 tors. eta vs tors. theta energy: -78.171 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: 142 Temperature: 1.200000 Total energy: -771.821608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.821608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.821608 (E_RNA) where: Base-Base interactions energy: -503.322 where: short stacking energy: -225.401 Base-Backbone interact. energy: -0.467 local terms energy: -268.032626 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -64.083 flat angles C4'-P-C4' energy: -61.287 flat angles P-C4'-P energy: -28.047 tors. eta vs tors. theta energy: -57.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -719.605791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.605791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.605791 (E_RNA) where: Base-Base interactions energy: -473.171 where: short stacking energy: -214.797 Base-Backbone interact. energy: 1.828 local terms energy: -248.263662 where: bonds (distance) C4'-P energy: -48.661 bonds (distance) P-C4' energy: -63.328 flat angles C4'-P-C4' energy: -61.173 flat angles P-C4'-P energy: -31.776 tors. eta vs tors. theta energy: -43.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -640.091073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.091073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.091073 (E_RNA) where: Base-Base interactions energy: -424.132 where: short stacking energy: -168.258 Base-Backbone interact. energy: 0.010 local terms energy: -215.969085 where: bonds (distance) C4'-P energy: -49.143 bonds (distance) P-C4' energy: -53.557 flat angles C4'-P-C4' energy: -50.182 flat angles P-C4'-P energy: -33.926 tors. eta vs tors. theta energy: -29.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -549.756407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.756407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.756407 (E_RNA) where: Base-Base interactions energy: -349.621 where: short stacking energy: -141.672 Base-Backbone interact. energy: -0.926 local terms energy: -199.209441 where: bonds (distance) C4'-P energy: -46.860 bonds (distance) P-C4' energy: -48.019 flat angles C4'-P-C4' energy: -53.364 flat angles P-C4'-P energy: -30.882 tors. eta vs tors. theta energy: -20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1143.018684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.018684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.018684 (E_RNA) where: Base-Base interactions energy: -776.550 where: short stacking energy: -344.508 Base-Backbone interact. energy: -1.452 local terms energy: -365.016325 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -72.465 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -103.307 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: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1083.999804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.999804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.999804 (E_RNA) where: Base-Base interactions energy: -742.500 where: short stacking energy: -334.703 Base-Backbone interact. energy: -1.183 local terms energy: -340.316960 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -74.227 flat angles C4'-P-C4' energy: -70.613 flat angles P-C4'-P energy: -31.513 tors. eta vs tors. theta energy: -100.500 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: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1060.904332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.904332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.904332 (E_RNA) where: Base-Base interactions energy: -739.993 where: short stacking energy: -312.243 Base-Backbone interact. energy: 1.672 local terms energy: -322.584044 where: bonds (distance) C4'-P energy: -64.881 bonds (distance) P-C4' energy: -64.017 flat angles C4'-P-C4' energy: -68.578 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -78.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -965.932199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.932199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.932199 (E_RNA) where: Base-Base interactions energy: -665.457 where: short stacking energy: -289.172 Base-Backbone interact. energy: 5.022 local terms energy: -305.496360 where: bonds (distance) C4'-P energy: -54.903 bonds (distance) P-C4' energy: -60.329 flat angles C4'-P-C4' energy: -70.805 flat angles P-C4'-P energy: -48.125 tors. eta vs tors. theta energy: -71.334 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: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -976.288936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.288936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.288936 (E_RNA) where: Base-Base interactions energy: -653.005 where: short stacking energy: -282.270 Base-Backbone interact. energy: -1.620 local terms energy: -321.663542 where: bonds (distance) C4'-P energy: -62.596 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -64.606 flat angles P-C4'-P energy: -47.234 tors. eta vs tors. theta energy: -82.731 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: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -865.279019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.279019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.279019 (E_RNA) where: Base-Base interactions energy: -585.904 where: short stacking energy: -272.891 Base-Backbone interact. energy: 3.856 local terms energy: -283.230806 where: bonds (distance) C4'-P energy: -60.428 bonds (distance) P-C4' energy: -59.962 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -34.202 tors. eta vs tors. theta energy: -63.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -795.481446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.481446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.481446 (E_RNA) where: Base-Base interactions energy: -523.682 where: short stacking energy: -253.202 Base-Backbone interact. energy: -1.556 local terms energy: -270.243448 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -46.902 flat angles C4'-P-C4' energy: -58.417 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: -64.421 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: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -769.390689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.390689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.390689 (E_RNA) where: Base-Base interactions energy: -508.043 where: short stacking energy: -245.640 Base-Backbone interact. energy: -0.551 local terms energy: -260.796396 where: bonds (distance) C4'-P energy: -59.767 bonds (distance) P-C4' energy: -58.908 flat angles C4'-P-C4' energy: -50.536 flat angles P-C4'-P energy: -32.914 tors. eta vs tors. theta energy: -58.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -599.660417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.660417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.660417 (E_RNA) where: Base-Base interactions energy: -381.707 where: short stacking energy: -142.903 Base-Backbone interact. energy: -2.730 local terms energy: -215.223275 where: bonds (distance) C4'-P energy: -54.835 bonds (distance) P-C4' energy: -60.638 flat angles C4'-P-C4' energy: -48.044 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -14.592 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: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -623.600646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.600646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.600646 (E_RNA) where: Base-Base interactions energy: -398.394 where: short stacking energy: -195.159 Base-Backbone interact. energy: 1.491 local terms energy: -226.696915 where: bonds (distance) C4'-P energy: -53.450 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -42.789 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -36.369 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: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1129.703089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.703089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.703089 (E_RNA) where: Base-Base interactions energy: -793.503 where: short stacking energy: -351.025 Base-Backbone interact. energy: -2.909 local terms energy: -333.291426 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -57.783 flat angles C4'-P-C4' energy: -69.105 flat angles P-C4'-P energy: -44.814 tors. eta vs tors. theta energy: -104.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1064.961456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.961456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.961456 (E_RNA) where: Base-Base interactions energy: -724.499 where: short stacking energy: -327.279 Base-Backbone interact. energy: -1.494 local terms energy: -338.968599 where: bonds (distance) C4'-P energy: -61.116 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -61.240 flat angles P-C4'-P energy: -51.400 tors. eta vs tors. theta energy: -97.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1067.915703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.915703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.915703 (E_RNA) where: Base-Base interactions energy: -735.878 where: short stacking energy: -322.716 Base-Backbone interact. energy: -0.962 local terms energy: -331.076048 where: bonds (distance) C4'-P energy: -68.701 bonds (distance) P-C4' energy: -56.705 flat angles C4'-P-C4' energy: -75.841 flat angles P-C4'-P energy: -41.024 tors. eta vs tors. theta energy: -88.804 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: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1012.505051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.505051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.505051 (E_RNA) where: Base-Base interactions energy: -713.189 where: short stacking energy: -314.159 Base-Backbone interact. energy: 2.916 local terms energy: -302.231614 where: bonds (distance) C4'-P energy: -54.125 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -60.934 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: -79.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -987.475371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.475371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.475371 (E_RNA) where: Base-Base interactions energy: -682.421 where: short stacking energy: -305.790 Base-Backbone interact. energy: -1.349 local terms energy: -303.705588 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -62.914 flat angles C4'-P-C4' energy: -55.021 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: -76.254 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: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -866.805257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.805257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.805257 (E_RNA) where: Base-Base interactions energy: -583.647 where: short stacking energy: -252.972 Base-Backbone interact. energy: 3.211 local terms energy: -286.369780 where: bonds (distance) C4'-P energy: -58.429 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -60.181 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -65.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -801.762928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.762928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.762928 (E_RNA) where: Base-Base interactions energy: -547.195 where: short stacking energy: -233.816 Base-Backbone interact. energy: -0.959 local terms energy: -253.609150 where: bonds (distance) C4'-P energy: -45.788 bonds (distance) P-C4' energy: -61.066 flat angles C4'-P-C4' energy: -49.324 flat angles P-C4'-P energy: -42.606 tors. eta vs tors. theta energy: -54.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -738.464465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.464465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.464465 (E_RNA) where: Base-Base interactions energy: -478.328 where: short stacking energy: -220.597 Base-Backbone interact. energy: 1.383 local terms energy: -261.519274 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -60.388 flat angles C4'-P-C4' energy: -61.944 flat angles P-C4'-P energy: -35.495 tors. eta vs tors. theta energy: -47.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -629.212831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.212831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.212831 (E_RNA) where: Base-Base interactions energy: -407.617 where: short stacking energy: -182.748 Base-Backbone interact. energy: -0.218 local terms energy: -221.377508 where: bonds (distance) C4'-P energy: -52.442 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -51.969 flat angles P-C4'-P energy: -28.331 tors. eta vs tors. theta energy: -26.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -600.265844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.265844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.265844 (E_RNA) where: Base-Base interactions energy: -376.680 where: short stacking energy: -156.726 Base-Backbone interact. energy: 0.642 local terms energy: -224.227104 where: bonds (distance) C4'-P energy: -53.639 bonds (distance) P-C4' energy: -46.035 flat angles C4'-P-C4' energy: -57.783 flat angles P-C4'-P energy: -31.815 tors. eta vs tors. theta energy: -34.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1112.483250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.483250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.483250 (E_RNA) where: Base-Base interactions energy: -780.800 where: short stacking energy: -344.046 Base-Backbone interact. energy: 0.984 local terms energy: -332.667046 where: bonds (distance) C4'-P energy: -65.781 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -43.777 tors. eta vs tors. theta energy: -92.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1076.363724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.363724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.363724 (E_RNA) where: Base-Base interactions energy: -748.073 where: short stacking energy: -334.859 Base-Backbone interact. energy: -1.074 local terms energy: -327.216907 where: bonds (distance) C4'-P energy: -69.720 bonds (distance) P-C4' energy: -50.360 flat angles C4'-P-C4' energy: -75.160 flat angles P-C4'-P energy: -51.078 tors. eta vs tors. theta energy: -80.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1044.105271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.105271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.105271 (E_RNA) where: Base-Base interactions energy: -709.571 where: short stacking energy: -323.185 Base-Backbone interact. energy: -1.010 local terms energy: -333.524961 where: bonds (distance) C4'-P energy: -63.637 bonds (distance) P-C4' energy: -60.313 flat angles C4'-P-C4' energy: -70.579 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: -97.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -986.142562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.142562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.142562 (E_RNA) where: Base-Base interactions energy: -682.142 where: short stacking energy: -297.233 Base-Backbone interact. energy: -0.237 local terms energy: -303.763143 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -62.238 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -77.571 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -954.069045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.069045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.069045 (E_RNA) where: Base-Base interactions energy: -664.063 where: short stacking energy: -283.302 Base-Backbone interact. energy: -1.336 local terms energy: -288.669781 where: bonds (distance) C4'-P energy: -46.976 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -38.923 tors. eta vs tors. theta energy: -76.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -892.596512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.596512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.596512 (E_RNA) where: Base-Base interactions energy: -612.473 where: short stacking energy: -282.500 Base-Backbone interact. energy: 2.485 local terms energy: -282.608054 where: bonds (distance) C4'-P energy: -49.838 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -59.468 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -68.318 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: 145 Temperature: 1.200000 Total energy: -811.225607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.225607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.225607 (E_RNA) where: Base-Base interactions energy: -539.073 where: short stacking energy: -245.165 Base-Backbone interact. energy: -0.189 local terms energy: -271.963611 where: bonds (distance) C4'-P energy: -56.106 bonds (distance) P-C4' energy: -53.387 flat angles C4'-P-C4' energy: -61.425 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -64.958 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: 145 Temperature: 1.250000 Total energy: -758.016102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.016102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.016102 (E_RNA) where: Base-Base interactions energy: -497.490 where: short stacking energy: -239.684 Base-Backbone interact. energy: -0.496 local terms energy: -260.029886 where: bonds (distance) C4'-P energy: -54.601 bonds (distance) P-C4' energy: -47.576 flat angles C4'-P-C4' energy: -61.128 flat angles P-C4'-P energy: -34.846 tors. eta vs tors. theta energy: -61.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -626.306138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.306138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.306138 (E_RNA) where: Base-Base interactions energy: -411.202 where: short stacking energy: -193.355 Base-Backbone interact. energy: 1.975 local terms energy: -217.079042 where: bonds (distance) C4'-P energy: -50.614 bonds (distance) P-C4' energy: -57.941 flat angles C4'-P-C4' energy: -39.747 flat angles P-C4'-P energy: -34.881 tors. eta vs tors. theta energy: -33.896 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: 145 Temperature: 1.350000 Total energy: -686.284216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.284216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.284216 (E_RNA) where: Base-Base interactions energy: -452.947 where: short stacking energy: -198.122 Base-Backbone interact. energy: -0.331 local terms energy: -233.007063 where: bonds (distance) C4'-P energy: -66.009 bonds (distance) P-C4' energy: -39.778 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -30.527 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: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1098.954498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.954498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.954498 (E_RNA) where: Base-Base interactions energy: -755.139 where: short stacking energy: -342.920 Base-Backbone interact. energy: -1.178 local terms energy: -342.637363 where: bonds (distance) C4'-P energy: -55.786 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -76.148 flat angles P-C4'-P energy: -51.249 tors. eta vs tors. theta energy: -90.295 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: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1105.941769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.941769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.941769 (E_RNA) where: Base-Base interactions energy: -775.739 where: short stacking energy: -328.564 Base-Backbone interact. energy: -1.312 local terms energy: -328.890853 where: bonds (distance) C4'-P energy: -58.829 bonds (distance) P-C4' energy: -69.266 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -90.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1051.624470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.624470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.624470 (E_RNA) where: Base-Base interactions energy: -727.508 where: short stacking energy: -320.126 Base-Backbone interact. energy: -0.504 local terms energy: -323.612169 where: bonds (distance) C4'-P energy: -57.347 bonds (distance) P-C4' energy: -59.758 flat angles C4'-P-C4' energy: -69.031 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: -89.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -996.317573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.317573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.317573 (E_RNA) where: Base-Base interactions energy: -673.822 where: short stacking energy: -317.516 Base-Backbone interact. energy: -1.546 local terms energy: -320.949062 where: bonds (distance) C4'-P energy: -66.885 bonds (distance) P-C4' energy: -48.172 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -49.623 tors. eta vs tors. theta energy: -87.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -968.073687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.073687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.073687 (E_RNA) where: Base-Base interactions energy: -684.273 where: short stacking energy: -293.569 Base-Backbone interact. energy: -1.951 local terms energy: -281.849163 where: bonds (distance) C4'-P energy: -51.735 bonds (distance) P-C4' energy: -48.206 flat angles C4'-P-C4' energy: -65.887 flat angles P-C4'-P energy: -39.762 tors. eta vs tors. theta energy: -76.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -861.588313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.588313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.588313 (E_RNA) where: Base-Base interactions energy: -583.399 where: short stacking energy: -269.757 Base-Backbone interact. energy: 0.370 local terms energy: -278.559359 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -69.976 flat angles P-C4'-P energy: -32.412 tors. eta vs tors. theta energy: -61.626 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: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -805.576645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.576645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.576645 (E_RNA) where: Base-Base interactions energy: -546.852 where: short stacking energy: -264.193 Base-Backbone interact. energy: -0.543 local terms energy: -258.181127 where: bonds (distance) C4'-P energy: -59.933 bonds (distance) P-C4' energy: -39.611 flat angles C4'-P-C4' energy: -61.224 flat angles P-C4'-P energy: -36.969 tors. eta vs tors. theta energy: -60.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -704.614804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.614804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.614804 (E_RNA) where: Base-Base interactions energy: -444.243 where: short stacking energy: -195.118 Base-Backbone interact. energy: 0.948 local terms energy: -261.319756 where: bonds (distance) C4'-P energy: -62.006 bonds (distance) P-C4' energy: -60.036 flat angles C4'-P-C4' energy: -50.066 flat angles P-C4'-P energy: -38.635 tors. eta vs tors. theta energy: -50.577 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -634.186344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.186344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.186344 (E_RNA) where: Base-Base interactions energy: -388.401 where: short stacking energy: -180.020 Base-Backbone interact. energy: -0.848 local terms energy: -244.937688 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -65.441 flat angles C4'-P-C4' energy: -50.811 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -36.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -599.581769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.581769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.581769 (E_RNA) where: Base-Base interactions energy: -399.845 where: short stacking energy: -160.048 Base-Backbone interact. energy: 0.028 local terms energy: -199.765143 where: bonds (distance) C4'-P energy: -43.587 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -55.228 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: -5.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1117.238840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.238840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.238840 (E_RNA) where: Base-Base interactions energy: -765.703 where: short stacking energy: -342.820 Base-Backbone interact. energy: -0.684 local terms energy: -350.851659 where: bonds (distance) C4'-P energy: -68.801 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -70.727 flat angles P-C4'-P energy: -42.451 tors. eta vs tors. theta energy: -97.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1106.189634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.189634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.189634 (E_RNA) where: Base-Base interactions energy: -770.952 where: short stacking energy: -328.771 Base-Backbone interact. energy: -1.554 local terms energy: -333.683668 where: bonds (distance) C4'-P energy: -58.946 bonds (distance) P-C4' energy: -63.173 flat angles C4'-P-C4' energy: -76.149 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -90.991 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: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1070.734547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.734547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.734547 (E_RNA) where: Base-Base interactions energy: -741.311 where: short stacking energy: -333.643 Base-Backbone interact. energy: -1.100 local terms energy: -328.323883 where: bonds (distance) C4'-P energy: -52.908 bonds (distance) P-C4' energy: -72.532 flat angles C4'-P-C4' energy: -60.433 flat angles P-C4'-P energy: -46.332 tors. eta vs tors. theta energy: -96.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -996.491241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.491241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.491241 (E_RNA) where: Base-Base interactions energy: -681.412 where: short stacking energy: -280.379 Base-Backbone interact. energy: 0.768 local terms energy: -315.847808 where: bonds (distance) C4'-P energy: -63.739 bonds (distance) P-C4' energy: -63.736 flat angles C4'-P-C4' energy: -65.596 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -81.433 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: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -974.165091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.165091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.165091 (E_RNA) where: Base-Base interactions energy: -669.292 where: short stacking energy: -293.930 Base-Backbone interact. energy: -0.895 local terms energy: -303.978223 where: bonds (distance) C4'-P energy: -51.222 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -64.991 flat angles P-C4'-P energy: -39.822 tors. eta vs tors. theta energy: -86.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -871.656047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.656047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.656047 (E_RNA) where: Base-Base interactions energy: -586.872 where: short stacking energy: -263.735 Base-Backbone interact. energy: 0.418 local terms energy: -285.201921 where: bonds (distance) C4'-P energy: -54.551 bonds (distance) P-C4' energy: -57.998 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -43.666 tors. eta vs tors. theta energy: -66.254 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -775.665051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.665051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.665051 (E_RNA) where: Base-Base interactions energy: -505.333 where: short stacking energy: -250.455 Base-Backbone interact. energy: -1.208 local terms energy: -269.124542 where: bonds (distance) C4'-P energy: -52.052 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -59.525 flat angles P-C4'-P energy: -31.912 tors. eta vs tors. theta energy: -64.944 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: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -718.754492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.754492 (E_RNA) where: Base-Base interactions energy: -466.058 where: short stacking energy: -224.897 Base-Backbone interact. energy: -1.975 local terms energy: -250.721370 where: bonds (distance) C4'-P energy: -69.557 bonds (distance) P-C4' energy: -44.881 flat angles C4'-P-C4' energy: -45.487 flat angles P-C4'-P energy: -31.004 tors. eta vs tors. theta energy: -59.792 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: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -654.513430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.513430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.513430 (E_RNA) where: Base-Base interactions energy: -411.551 where: short stacking energy: -206.555 Base-Backbone interact. energy: -1.457 local terms energy: -241.505710 where: bonds (distance) C4'-P energy: -45.964 bonds (distance) P-C4' energy: -50.254 flat angles C4'-P-C4' energy: -60.709 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -34.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -582.650596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.650596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.650596 (E_RNA) where: Base-Base interactions energy: -368.401 where: short stacking energy: -195.497 Base-Backbone interact. energy: -0.100 local terms energy: -214.149591 where: bonds (distance) C4'-P energy: -38.826 bonds (distance) P-C4' energy: -61.253 flat angles C4'-P-C4' energy: -40.952 flat angles P-C4'-P energy: -34.860 tors. eta vs tors. theta energy: -38.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1096.930457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.930457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.930457 (E_RNA) where: Base-Base interactions energy: -755.593 where: short stacking energy: -335.190 Base-Backbone interact. energy: -0.280 local terms energy: -341.057429 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -75.020 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -96.169 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: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1106.212468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.212468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.212468 (E_RNA) where: Base-Base interactions energy: -769.144 where: short stacking energy: -329.126 Base-Backbone interact. energy: -0.789 local terms energy: -336.278910 where: bonds (distance) C4'-P energy: -64.306 bonds (distance) P-C4' energy: -67.966 flat angles C4'-P-C4' energy: -64.582 flat angles P-C4'-P energy: -45.233 tors. eta vs tors. theta energy: -94.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1071.979360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.979360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.979360 (E_RNA) where: Base-Base interactions energy: -742.921 where: short stacking energy: -337.645 Base-Backbone interact. energy: -2.080 local terms energy: -326.977773 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -56.928 flat angles C4'-P-C4' energy: -67.909 flat angles P-C4'-P energy: -39.658 tors. eta vs tors. theta energy: -99.744 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: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1002.015829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.015829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.015829 (E_RNA) where: Base-Base interactions energy: -683.485 where: short stacking energy: -299.954 Base-Backbone interact. energy: -2.064 local terms energy: -316.466581 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -54.641 flat angles C4'-P-C4' energy: -70.247 flat angles P-C4'-P energy: -38.531 tors. eta vs tors. theta energy: -89.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -978.359214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.359214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.359214 (E_RNA) where: Base-Base interactions energy: -670.101 where: short stacking energy: -301.370 Base-Backbone interact. energy: -0.675 local terms energy: -307.583719 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -61.185 flat angles C4'-P-C4' energy: -71.410 flat angles P-C4'-P energy: -38.155 tors. eta vs tors. theta energy: -88.229 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: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -872.267575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.267575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.267575 (E_RNA) where: Base-Base interactions energy: -591.124 where: short stacking energy: -250.907 Base-Backbone interact. energy: 0.432 local terms energy: -281.575390 where: bonds (distance) C4'-P energy: -56.310 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -58.415 flat angles P-C4'-P energy: -42.059 tors. eta vs tors. theta energy: -66.005 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: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -804.254843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.254843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.254843 (E_RNA) where: Base-Base interactions energy: -518.581 where: short stacking energy: -246.010 Base-Backbone interact. energy: -0.285 local terms energy: -285.388407 where: bonds (distance) C4'-P energy: -56.044 bonds (distance) P-C4' energy: -63.452 flat angles C4'-P-C4' energy: -61.045 flat angles P-C4'-P energy: -36.552 tors. eta vs tors. theta energy: -68.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -695.661540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.661540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.661540 (E_RNA) where: Base-Base interactions energy: -457.357 where: short stacking energy: -206.383 Base-Backbone interact. energy: 5.503 local terms energy: -243.807198 where: bonds (distance) C4'-P energy: -55.021 bonds (distance) P-C4' energy: -58.979 flat angles C4'-P-C4' energy: -45.225 flat angles P-C4'-P energy: -38.809 tors. eta vs tors. theta energy: -45.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -558.359608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.359608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.359608 (E_RNA) where: Base-Base interactions energy: -363.714 where: short stacking energy: -171.412 Base-Backbone interact. energy: -2.125 local terms energy: -192.520709 where: bonds (distance) C4'-P energy: -50.838 bonds (distance) P-C4' energy: -58.543 flat angles C4'-P-C4' energy: -44.112 flat angles P-C4'-P energy: -20.732 tors. eta vs tors. theta energy: -18.295 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: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -654.035925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.035925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.035925 (E_RNA) where: Base-Base interactions energy: -424.738 where: short stacking energy: -199.573 Base-Backbone interact. energy: -0.276 local terms energy: -229.021775 where: bonds (distance) C4'-P energy: -50.819 bonds (distance) P-C4' energy: -56.074 flat angles C4'-P-C4' energy: -53.652 flat angles P-C4'-P energy: -33.615 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: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1100.725794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.725794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.725794 (E_RNA) where: Base-Base interactions energy: -763.069 where: short stacking energy: -345.438 Base-Backbone interact. energy: -0.998 local terms energy: -336.658742 where: bonds (distance) C4'-P energy: -65.507 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -63.836 flat angles P-C4'-P energy: -43.062 tors. eta vs tors. theta energy: -95.810 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: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1108.254603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.254603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.254603 (E_RNA) where: Base-Base interactions energy: -773.622 where: short stacking energy: -311.299 Base-Backbone interact. energy: -1.705 local terms energy: -332.927811 where: bonds (distance) C4'-P energy: -67.423 bonds (distance) P-C4' energy: -66.281 flat angles C4'-P-C4' energy: -62.378 flat angles P-C4'-P energy: -50.077 tors. eta vs tors. theta energy: -86.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1059.661494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.661494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.661494 (E_RNA) where: Base-Base interactions energy: -741.977 where: short stacking energy: -325.732 Base-Backbone interact. energy: -0.645 local terms energy: -317.039679 where: bonds (distance) C4'-P energy: -61.255 bonds (distance) P-C4' energy: -50.327 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -37.848 tors. eta vs tors. theta energy: -95.895 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: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -982.108448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.108448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.108448 (E_RNA) where: Base-Base interactions energy: -681.746 where: short stacking energy: -295.725 Base-Backbone interact. energy: -2.235 local terms energy: -298.126802 where: bonds (distance) C4'-P energy: -56.003 bonds (distance) P-C4' energy: -62.757 flat angles C4'-P-C4' energy: -64.273 flat angles P-C4'-P energy: -39.018 tors. eta vs tors. theta energy: -76.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -968.235596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.235596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.235596 (E_RNA) where: Base-Base interactions energy: -642.944 where: short stacking energy: -291.891 Base-Backbone interact. energy: -0.572 local terms energy: -324.718880 where: bonds (distance) C4'-P energy: -66.152 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -67.006 flat angles P-C4'-P energy: -38.256 tors. eta vs tors. theta energy: -80.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -847.996790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.996790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.996790 (E_RNA) where: Base-Base interactions energy: -583.451 where: short stacking energy: -256.039 Base-Backbone interact. energy: -0.799 local terms energy: -263.746136 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -55.687 flat angles C4'-P-C4' energy: -57.116 flat angles P-C4'-P energy: -36.908 tors. eta vs tors. theta energy: -60.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -791.214264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.214264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.214264 (E_RNA) where: Base-Base interactions energy: -533.545 where: short stacking energy: -253.835 Base-Backbone interact. energy: -0.551 local terms energy: -257.117357 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -50.448 flat angles C4'-P-C4' energy: -55.261 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -61.691 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -659.775825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.775825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.775825 (E_RNA) where: Base-Base interactions energy: -439.774 where: short stacking energy: -198.268 Base-Backbone interact. energy: 2.012 local terms energy: -222.013411 where: bonds (distance) C4'-P energy: -47.647 bonds (distance) P-C4' energy: -41.230 flat angles C4'-P-C4' energy: -55.375 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -36.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -594.911081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.911081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.911081 (E_RNA) where: Base-Base interactions energy: -371.524 where: short stacking energy: -173.917 Base-Backbone interact. energy: 1.510 local terms energy: -224.897569 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -53.852 flat angles C4'-P-C4' energy: -45.741 flat angles P-C4'-P energy: -35.807 tors. eta vs tors. theta energy: -29.097 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: 149 Temperature: 1.350000 Total energy: -613.965052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.965052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.965052 (E_RNA) where: Base-Base interactions energy: -391.913 where: short stacking energy: -185.577 Base-Backbone interact. energy: 3.343 local terms energy: -225.395009 where: bonds (distance) C4'-P energy: -49.924 bonds (distance) P-C4' energy: -54.533 flat angles C4'-P-C4' energy: -54.147 flat angles P-C4'-P energy: -25.932 tors. eta vs tors. theta energy: -40.860 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: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1114.337240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.337240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.337240 (E_RNA) where: Base-Base interactions energy: -772.022 where: short stacking energy: -348.609 Base-Backbone interact. energy: -1.068 local terms energy: -341.247157 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -93.465 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: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1107.756556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.756556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.756556 (E_RNA) where: Base-Base interactions energy: -784.066 where: short stacking energy: -348.364 Base-Backbone interact. energy: 2.690 local terms energy: -326.380523 where: bonds (distance) C4'-P energy: -57.506 bonds (distance) P-C4' energy: -67.022 flat angles C4'-P-C4' energy: -67.989 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -95.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1064.554364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.554364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.554364 (E_RNA) where: Base-Base interactions energy: -742.050 where: short stacking energy: -340.874 Base-Backbone interact. energy: -1.197 local terms energy: -321.307007 where: bonds (distance) C4'-P energy: -49.616 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -68.190 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -95.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -970.544354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.544354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.544354 (E_RNA) where: Base-Base interactions energy: -671.885 where: short stacking energy: -291.046 Base-Backbone interact. energy: 0.583 local terms energy: -299.242407 where: bonds (distance) C4'-P energy: -61.123 bonds (distance) P-C4' energy: -56.015 flat angles C4'-P-C4' energy: -64.338 flat angles P-C4'-P energy: -43.987 tors. eta vs tors. theta energy: -73.781 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: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -973.032640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.032640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.032640 (E_RNA) where: Base-Base interactions energy: -647.992 where: short stacking energy: -307.858 Base-Backbone interact. energy: -1.167 local terms energy: -323.873761 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -64.242 flat angles C4'-P-C4' energy: -63.839 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -88.638 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: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -864.299781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.299781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.299781 (E_RNA) where: Base-Base interactions energy: -574.495 where: short stacking energy: -264.922 Base-Backbone interact. energy: -1.277 local terms energy: -288.528146 where: bonds (distance) C4'-P energy: -48.483 bonds (distance) P-C4' energy: -59.968 flat angles C4'-P-C4' energy: -61.933 flat angles P-C4'-P energy: -42.021 tors. eta vs tors. theta energy: -76.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -788.426632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.426632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.426632 (E_RNA) where: Base-Base interactions energy: -494.258 where: short stacking energy: -235.862 Base-Backbone interact. energy: 0.908 local terms energy: -295.076536 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -61.988 flat angles C4'-P-C4' energy: -59.305 flat angles P-C4'-P energy: -48.468 tors. eta vs tors. theta energy: -73.080 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: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -680.388371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.388371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.388371 (E_RNA) where: Base-Base interactions energy: -430.089 where: short stacking energy: -217.926 Base-Backbone interact. energy: -0.876 local terms energy: -249.422709 where: bonds (distance) C4'-P energy: -38.470 bonds (distance) P-C4' energy: -56.327 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: -57.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -586.276290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.276290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.276290 (E_RNA) where: Base-Base interactions energy: -368.939 where: short stacking energy: -176.263 Base-Backbone interact. energy: 4.804 local terms energy: -222.141964 where: bonds (distance) C4'-P energy: -46.139 bonds (distance) P-C4' energy: -62.617 flat angles C4'-P-C4' energy: -51.257 flat angles P-C4'-P energy: -25.699 tors. eta vs tors. theta energy: -36.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -608.399445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.399445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.399445 (E_RNA) where: Base-Base interactions energy: -380.012 where: short stacking energy: -157.900 Base-Backbone interact. energy: -1.342 local terms energy: -227.046109 where: bonds (distance) C4'-P energy: -47.641 bonds (distance) P-C4' energy: -51.230 flat angles C4'-P-C4' energy: -48.318 flat angles P-C4'-P energy: -41.194 tors. eta vs tors. theta energy: -38.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1100.640300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.640300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.640300 (E_RNA) where: Base-Base interactions energy: -761.265 where: short stacking energy: -342.774 Base-Backbone interact. energy: -0.810 local terms energy: -338.565203 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -59.510 flat angles C4'-P-C4' energy: -67.011 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -94.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1078.929293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.929293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.929293 (E_RNA) where: Base-Base interactions energy: -747.551 where: short stacking energy: -311.590 Base-Backbone interact. energy: -1.778 local terms energy: -329.600623 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -66.722 flat angles C4'-P-C4' energy: -69.633 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -86.489 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: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1083.668137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.668137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.668137 (E_RNA) where: Base-Base interactions energy: -752.221 where: short stacking energy: -338.246 Base-Backbone interact. energy: -0.863 local terms energy: -330.584206 where: bonds (distance) C4'-P energy: -62.730 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -65.119 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -92.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -988.116231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.116231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.116231 (E_RNA) where: Base-Base interactions energy: -669.878 where: short stacking energy: -288.415 Base-Backbone interact. energy: -2.512 local terms energy: -315.725733 where: bonds (distance) C4'-P energy: -59.711 bonds (distance) P-C4' energy: -68.671 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -43.429 tors. eta vs tors. theta energy: -77.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -953.559425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.559425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.559425 (E_RNA) where: Base-Base interactions energy: -649.348 where: short stacking energy: -305.364 Base-Backbone interact. energy: -1.202 local terms energy: -303.009516 where: bonds (distance) C4'-P energy: -50.597 bonds (distance) P-C4' energy: -60.169 flat angles C4'-P-C4' energy: -65.408 flat angles P-C4'-P energy: -39.212 tors. eta vs tors. theta energy: -87.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -862.763431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.763431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.763431 (E_RNA) where: Base-Base interactions energy: -597.121 where: short stacking energy: -282.412 Base-Backbone interact. energy: 0.621 local terms energy: -266.263503 where: bonds (distance) C4'-P energy: -52.238 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -58.423 flat angles P-C4'-P energy: -38.493 tors. eta vs tors. theta energy: -59.205 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: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -802.999702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.999702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.999702 (E_RNA) where: Base-Base interactions energy: -516.131 where: short stacking energy: -250.554 Base-Backbone interact. energy: -0.353 local terms energy: -286.515231 where: bonds (distance) C4'-P energy: -58.019 bonds (distance) P-C4' energy: -62.282 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -31.782 tors. eta vs tors. theta energy: -70.270 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: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -693.989931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.989931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.989931 (E_RNA) where: Base-Base interactions energy: -422.645 where: short stacking energy: -197.463 Base-Backbone interact. energy: -1.637 local terms energy: -269.708105 where: bonds (distance) C4'-P energy: -61.516 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -55.995 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -47.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -572.505527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.505527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.505527 (E_RNA) where: Base-Base interactions energy: -363.078 where: short stacking energy: -183.509 Base-Backbone interact. energy: 0.277 local terms energy: -209.703616 where: bonds (distance) C4'-P energy: -39.067 bonds (distance) P-C4' energy: -64.463 flat angles C4'-P-C4' energy: -57.109 flat angles P-C4'-P energy: -22.486 tors. eta vs tors. theta energy: -26.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -631.786884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.786884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.786884 (E_RNA) where: Base-Base interactions energy: -420.143 where: short stacking energy: -195.635 Base-Backbone interact. energy: 2.078 local terms energy: -213.721701 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -42.944 flat angles C4'-P-C4' energy: -59.351 flat angles P-C4'-P energy: -32.187 tors. eta vs tors. theta energy: -20.864 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: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1096.694934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.694934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.694934 (E_RNA) where: Base-Base interactions energy: -750.428 where: short stacking energy: -313.472 Base-Backbone interact. energy: -1.343 local terms energy: -344.923976 where: bonds (distance) C4'-P energy: -59.717 bonds (distance) P-C4' energy: -64.333 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -98.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1064.395863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.395863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.395863 (E_RNA) where: Base-Base interactions energy: -732.208 where: short stacking energy: -329.934 Base-Backbone interact. energy: 0.875 local terms energy: -333.063028 where: bonds (distance) C4'-P energy: -66.096 bonds (distance) P-C4' energy: -54.819 flat angles C4'-P-C4' energy: -66.955 flat angles P-C4'-P energy: -51.680 tors. eta vs tors. theta energy: -93.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1071.523761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.523761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.523761 (E_RNA) where: Base-Base interactions energy: -725.214 where: short stacking energy: -308.045 Base-Backbone interact. energy: 0.236 local terms energy: -346.546060 where: bonds (distance) C4'-P energy: -67.154 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -78.720 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -92.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -971.051703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.051703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.051703 (E_RNA) where: Base-Base interactions energy: -676.450 where: short stacking energy: -292.946 Base-Backbone interact. energy: -1.900 local terms energy: -292.701812 where: bonds (distance) C4'-P energy: -57.858 bonds (distance) P-C4' energy: -58.596 flat angles C4'-P-C4' energy: -66.010 flat angles P-C4'-P energy: -33.578 tors. eta vs tors. theta energy: -76.659 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: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -971.946620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.946620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.946620 (E_RNA) where: Base-Base interactions energy: -671.942 where: short stacking energy: -305.235 Base-Backbone interact. energy: -0.334 local terms energy: -299.670264 where: bonds (distance) C4'-P energy: -55.094 bonds (distance) P-C4' energy: -55.547 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -42.373 tors. eta vs tors. theta energy: -74.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -896.884816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.884816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.884816 (E_RNA) where: Base-Base interactions energy: -615.119 where: short stacking energy: -283.477 Base-Backbone interact. energy: -0.676 local terms energy: -281.089152 where: bonds (distance) C4'-P energy: -51.084 bonds (distance) P-C4' energy: -54.705 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -38.624 tors. eta vs tors. theta energy: -67.125 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: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -809.215629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.215629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.215629 (E_RNA) where: Base-Base interactions energy: -519.062 where: short stacking energy: -241.266 Base-Backbone interact. energy: -1.090 local terms energy: -289.063660 where: bonds (distance) C4'-P energy: -51.003 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: -68.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -717.995149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.995149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.995149 (E_RNA) where: Base-Base interactions energy: -472.596 where: short stacking energy: -212.877 Base-Backbone interact. energy: -0.546 local terms energy: -244.853754 where: bonds (distance) C4'-P energy: -51.236 bonds (distance) P-C4' energy: -48.956 flat angles C4'-P-C4' energy: -51.253 flat angles P-C4'-P energy: -37.768 tors. eta vs tors. theta energy: -55.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -564.089379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.089379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.089379 (E_RNA) where: Base-Base interactions energy: -352.732 where: short stacking energy: -173.832 Base-Backbone interact. energy: -0.872 local terms energy: -210.484662 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -47.880 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -21.895 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: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -615.515847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.515847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.515847 (E_RNA) where: Base-Base interactions energy: -387.091 where: short stacking energy: -192.172 Base-Backbone interact. energy: -2.104 local terms energy: -226.321187 where: bonds (distance) C4'-P energy: -59.680 bonds (distance) P-C4' energy: -52.717 flat angles C4'-P-C4' energy: -57.166 flat angles P-C4'-P energy: -24.699 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: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1126.229317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.229317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.229317 (E_RNA) where: Base-Base interactions energy: -782.019 where: short stacking energy: -320.317 Base-Backbone interact. energy: -1.957 local terms energy: -342.253774 where: bonds (distance) C4'-P energy: -62.568 bonds (distance) P-C4' energy: -68.476 flat angles C4'-P-C4' energy: -74.126 flat angles P-C4'-P energy: -39.661 tors. eta vs tors. theta energy: -97.423 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: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1100.806838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.806838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.806838 (E_RNA) where: Base-Base interactions energy: -759.631 where: short stacking energy: -350.134 Base-Backbone interact. energy: -1.624 local terms energy: -339.551933 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -65.863 flat angles C4'-P-C4' energy: -70.294 flat angles P-C4'-P energy: -42.731 tors. eta vs tors. theta energy: -102.442 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: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1050.040182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.040182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.040182 (E_RNA) where: Base-Base interactions energy: -721.028 where: short stacking energy: -314.637 Base-Backbone interact. energy: -0.581 local terms energy: -328.431640 where: bonds (distance) C4'-P energy: -59.035 bonds (distance) P-C4' energy: -67.594 flat angles C4'-P-C4' energy: -66.979 flat angles P-C4'-P energy: -48.665 tors. eta vs tors. theta energy: -86.159 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1000.419135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.419135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.419135 (E_RNA) where: Base-Base interactions energy: -680.203 where: short stacking energy: -289.330 Base-Backbone interact. energy: -1.689 local terms energy: -318.526578 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -71.572 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -82.996 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: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -981.276108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.276108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.276108 (E_RNA) where: Base-Base interactions energy: -660.765 where: short stacking energy: -304.027 Base-Backbone interact. energy: -0.373 local terms energy: -320.138415 where: bonds (distance) C4'-P energy: -69.774 bonds (distance) P-C4' energy: -58.294 flat angles C4'-P-C4' energy: -69.183 flat angles P-C4'-P energy: -42.974 tors. eta vs tors. theta energy: -79.914 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: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -877.812994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.812994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.812994 (E_RNA) where: Base-Base interactions energy: -602.094 where: short stacking energy: -269.971 Base-Backbone interact. energy: -1.259 local terms energy: -274.459808 where: bonds (distance) C4'-P energy: -46.123 bonds (distance) P-C4' energy: -51.153 flat angles C4'-P-C4' energy: -62.275 flat angles P-C4'-P energy: -40.795 tors. eta vs tors. theta energy: -74.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -837.222064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.222064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.222064 (E_RNA) where: Base-Base interactions energy: -579.577 where: short stacking energy: -251.726 Base-Backbone interact. energy: 3.257 local terms energy: -260.902629 where: bonds (distance) C4'-P energy: -50.191 bonds (distance) P-C4' energy: -55.938 flat angles C4'-P-C4' energy: -51.487 flat angles P-C4'-P energy: -31.318 tors. eta vs tors. theta energy: -71.968 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: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -739.559489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.559489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.559489 (E_RNA) where: Base-Base interactions energy: -496.904 where: short stacking energy: -222.977 Base-Backbone interact. energy: -0.962 local terms energy: -241.693503 where: bonds (distance) C4'-P energy: -47.436 bonds (distance) P-C4' energy: -57.831 flat angles C4'-P-C4' energy: -48.352 flat angles P-C4'-P energy: -36.446 tors. eta vs tors. theta energy: -51.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -590.221403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.221403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.221403 (E_RNA) where: Base-Base interactions energy: -386.122 where: short stacking energy: -163.237 Base-Backbone interact. energy: 0.480 local terms energy: -204.579159 where: bonds (distance) C4'-P energy: -58.528 bonds (distance) P-C4' energy: -63.181 flat angles C4'-P-C4' energy: -40.410 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: -19.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -579.970453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.970453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.970453 (E_RNA) where: Base-Base interactions energy: -372.005 where: short stacking energy: -174.445 Base-Backbone interact. energy: -0.465 local terms energy: -207.500450 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -50.508 flat angles C4'-P-C4' energy: -48.893 flat angles P-C4'-P energy: -25.949 tors. eta vs tors. theta energy: -28.008 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: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1148.766803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.766803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.766803 (E_RNA) where: Base-Base interactions energy: -803.773 where: short stacking energy: -357.125 Base-Backbone interact. energy: 0.403 local terms energy: -345.396993 where: bonds (distance) C4'-P energy: -64.205 bonds (distance) P-C4' energy: -57.858 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -97.566 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: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1098.178835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.178835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.178835 (E_RNA) where: Base-Base interactions energy: -755.578 where: short stacking energy: -336.838 Base-Backbone interact. energy: -2.784 local terms energy: -339.817360 where: bonds (distance) C4'-P energy: -58.741 bonds (distance) P-C4' energy: -60.353 flat angles C4'-P-C4' energy: -78.568 flat angles P-C4'-P energy: -43.891 tors. eta vs tors. theta energy: -98.264 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: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1053.427825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.427825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.427825 (E_RNA) where: Base-Base interactions energy: -734.380 where: short stacking energy: -337.822 Base-Backbone interact. energy: 0.401 local terms energy: -319.449319 where: bonds (distance) C4'-P energy: -61.328 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -65.785 flat angles P-C4'-P energy: -48.211 tors. eta vs tors. theta energy: -92.744 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: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1009.458623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.458623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.458623 (E_RNA) where: Base-Base interactions energy: -681.717 where: short stacking energy: -308.824 Base-Backbone interact. energy: -1.520 local terms energy: -326.221848 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -70.102 flat angles C4'-P-C4' energy: -74.315 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -86.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -946.400895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.400895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.400895 (E_RNA) where: Base-Base interactions energy: -636.376 where: short stacking energy: -289.948 Base-Backbone interact. energy: -0.586 local terms energy: -309.439089 where: bonds (distance) C4'-P energy: -54.698 bonds (distance) P-C4' energy: -63.191 flat angles C4'-P-C4' energy: -65.989 flat angles P-C4'-P energy: -43.922 tors. eta vs tors. theta energy: -81.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -879.211003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.211003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.211003 (E_RNA) where: Base-Base interactions energy: -617.523 where: short stacking energy: -290.428 Base-Backbone interact. energy: -1.272 local terms energy: -260.415429 where: bonds (distance) C4'-P energy: -38.896 bonds (distance) P-C4' energy: -54.045 flat angles C4'-P-C4' energy: -61.901 flat angles P-C4'-P energy: -35.141 tors. eta vs tors. theta energy: -70.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -752.982739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.982739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.982739 (E_RNA) where: Base-Base interactions energy: -486.814 where: short stacking energy: -226.939 Base-Backbone interact. energy: 0.354 local terms energy: -266.523580 where: bonds (distance) C4'-P energy: -42.520 bonds (distance) P-C4' energy: -60.995 flat angles C4'-P-C4' energy: -60.876 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -56.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -810.690698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.690698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.690698 (E_RNA) where: Base-Base interactions energy: -554.133 where: short stacking energy: -255.603 Base-Backbone interact. energy: -0.720 local terms energy: -255.837870 where: bonds (distance) C4'-P energy: -44.886 bonds (distance) P-C4' energy: -54.430 flat angles C4'-P-C4' energy: -55.845 flat angles P-C4'-P energy: -35.158 tors. eta vs tors. theta energy: -65.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -686.006350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.006350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.006350 (E_RNA) where: Base-Base interactions energy: -459.701 where: short stacking energy: -197.108 Base-Backbone interact. energy: -2.150 local terms energy: -224.155243 where: bonds (distance) C4'-P energy: -45.303 bonds (distance) P-C4' energy: -52.615 flat angles C4'-P-C4' energy: -54.579 flat angles P-C4'-P energy: -31.445 tors. eta vs tors. theta energy: -40.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -572.939297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.939297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.939297 (E_RNA) where: Base-Base interactions energy: -348.723 where: short stacking energy: -170.703 Base-Backbone interact. energy: -0.237 local terms energy: -223.979644 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -52.316 flat angles C4'-P-C4' energy: -47.726 flat angles P-C4'-P energy: -32.677 tors. eta vs tors. theta energy: -32.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1148.410439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.410439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.410439 (E_RNA) where: Base-Base interactions energy: -797.608 where: short stacking energy: -352.428 Base-Backbone interact. energy: -1.535 local terms energy: -349.267790 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -70.535 flat angles C4'-P-C4' energy: -73.437 flat angles P-C4'-P energy: -41.317 tors. eta vs tors. theta energy: -101.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1105.817645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.817645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.817645 (E_RNA) where: Base-Base interactions energy: -772.987 where: short stacking energy: -345.565 Base-Backbone interact. energy: -0.103 local terms energy: -332.727427 where: bonds (distance) C4'-P energy: -54.003 bonds (distance) P-C4' energy: -65.446 flat angles C4'-P-C4' energy: -69.905 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -94.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1059.565962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.565962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.565962 (E_RNA) where: Base-Base interactions energy: -726.883 where: short stacking energy: -321.440 Base-Backbone interact. energy: -2.808 local terms energy: -329.874814 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -61.355 flat angles C4'-P-C4' energy: -72.989 flat angles P-C4'-P energy: -45.324 tors. eta vs tors. theta energy: -90.824 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: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1002.523615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.523615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.523615 (E_RNA) where: Base-Base interactions energy: -689.058 where: short stacking energy: -313.402 Base-Backbone interact. energy: -1.827 local terms energy: -311.639061 where: bonds (distance) C4'-P energy: -58.646 bonds (distance) P-C4' energy: -64.303 flat angles C4'-P-C4' energy: -67.317 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -80.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -958.953732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.953732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.953732 (E_RNA) where: Base-Base interactions energy: -641.173 where: short stacking energy: -295.493 Base-Backbone interact. energy: -1.081 local terms energy: -316.699934 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -61.383 flat angles C4'-P-C4' energy: -73.008 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -76.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -880.763331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.763331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.763331 (E_RNA) where: Base-Base interactions energy: -609.833 where: short stacking energy: -270.854 Base-Backbone interact. energy: 2.858 local terms energy: -273.787629 where: bonds (distance) C4'-P energy: -57.234 bonds (distance) P-C4' energy: -59.280 flat angles C4'-P-C4' energy: -55.207 flat angles P-C4'-P energy: -40.952 tors. eta vs tors. theta energy: -61.114 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: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -776.174196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.174196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.174196 (E_RNA) where: Base-Base interactions energy: -499.134 where: short stacking energy: -233.633 Base-Backbone interact. energy: 0.960 local terms energy: -278.000430 where: bonds (distance) C4'-P energy: -55.376 bonds (distance) P-C4' energy: -64.103 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -48.555 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: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -781.201103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.201103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.201103 (E_RNA) where: Base-Base interactions energy: -546.284 where: short stacking energy: -227.640 Base-Backbone interact. energy: 6.769 local terms energy: -241.686264 where: bonds (distance) C4'-P energy: -43.206 bonds (distance) P-C4' energy: -53.228 flat angles C4'-P-C4' energy: -63.821 flat angles P-C4'-P energy: -32.660 tors. eta vs tors. theta energy: -48.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -666.488532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.488532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.488532 (E_RNA) where: Base-Base interactions energy: -413.596 where: short stacking energy: -187.044 Base-Backbone interact. energy: -1.148 local terms energy: -251.743947 where: bonds (distance) C4'-P energy: -59.754 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -55.525 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: -42.461 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: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -517.518862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.518862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.518862 (E_RNA) where: Base-Base interactions energy: -299.258 where: short stacking energy: -148.962 Base-Backbone interact. energy: -0.139 local terms energy: -218.121376 where: bonds (distance) C4'-P energy: -59.401 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -51.532 flat angles P-C4'-P energy: -25.801 tors. eta vs tors. theta energy: -21.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1116.961185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.961185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.961185 (E_RNA) where: Base-Base interactions energy: -766.383 where: short stacking energy: -345.131 Base-Backbone interact. energy: -0.200 local terms energy: -350.378317 where: bonds (distance) C4'-P energy: -72.442 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -69.571 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -95.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1109.270639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.270639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.270639 (E_RNA) where: Base-Base interactions energy: -768.219 where: short stacking energy: -343.840 Base-Backbone interact. energy: -1.623 local terms energy: -339.429125 where: bonds (distance) C4'-P energy: -64.364 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -99.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1012.607913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.607913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.607913 (E_RNA) where: Base-Base interactions energy: -705.819 where: short stacking energy: -313.214 Base-Backbone interact. energy: -2.433 local terms energy: -304.355412 where: bonds (distance) C4'-P energy: -62.242 bonds (distance) P-C4' energy: -64.362 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -41.724 tors. eta vs tors. theta energy: -72.093 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: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1010.250416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.250416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.250416 (E_RNA) where: Base-Base interactions energy: -685.391 where: short stacking energy: -306.454 Base-Backbone interact. energy: -0.904 local terms energy: -323.955732 where: bonds (distance) C4'-P energy: -56.181 bonds (distance) P-C4' energy: -66.805 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -87.347 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: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -987.450524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.450524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.450524 (E_RNA) where: Base-Base interactions energy: -681.357 where: short stacking energy: -315.037 Base-Backbone interact. energy: -0.967 local terms energy: -305.126033 where: bonds (distance) C4'-P energy: -59.544 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -61.062 flat angles P-C4'-P energy: -44.457 tors. eta vs tors. theta energy: -83.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -894.273271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.273271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.273271 (E_RNA) where: Base-Base interactions energy: -610.547 where: short stacking energy: -266.572 Base-Backbone interact. energy: -0.715 local terms energy: -283.010947 where: bonds (distance) C4'-P energy: -44.471 bonds (distance) P-C4' energy: -72.036 flat angles C4'-P-C4' energy: -59.230 flat angles P-C4'-P energy: -37.280 tors. eta vs tors. theta energy: -69.994 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: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -771.155424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.155424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.155424 (E_RNA) where: Base-Base interactions energy: -498.927 where: short stacking energy: -217.593 Base-Backbone interact. energy: -0.459 local terms energy: -271.769836 where: bonds (distance) C4'-P energy: -49.608 bonds (distance) P-C4' energy: -63.989 flat angles C4'-P-C4' energy: -59.827 flat angles P-C4'-P energy: -37.381 tors. eta vs tors. theta energy: -60.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -762.821013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.821013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.821013 (E_RNA) where: Base-Base interactions energy: -501.678 where: short stacking energy: -232.202 Base-Backbone interact. energy: 1.527 local terms energy: -262.670009 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -29.967 tors. eta vs tors. theta energy: -54.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -700.211196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.211196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.211196 (E_RNA) where: Base-Base interactions energy: -456.131 where: short stacking energy: -226.640 Base-Backbone interact. energy: 1.173 local terms energy: -245.253300 where: bonds (distance) C4'-P energy: -51.698 bonds (distance) P-C4' energy: -55.564 flat angles C4'-P-C4' energy: -60.444 flat angles P-C4'-P energy: -27.570 tors. eta vs tors. theta energy: -49.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -522.763271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.763271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.763271 (E_RNA) where: Base-Base interactions energy: -312.581 where: short stacking energy: -162.013 Base-Backbone interact. energy: 1.801 local terms energy: -211.982901 where: bonds (distance) C4'-P energy: -49.573 bonds (distance) P-C4' energy: -48.794 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -35.592 tors. eta vs tors. theta energy: -17.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1129.269355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.269355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.269355 (E_RNA) where: Base-Base interactions energy: -787.793 where: short stacking energy: -348.705 Base-Backbone interact. energy: -1.085 local terms energy: -340.391596 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -63.508 flat angles C4'-P-C4' energy: -73.387 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -96.370 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: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1126.937900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.937900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.937900 (E_RNA) where: Base-Base interactions energy: -792.426 where: short stacking energy: -337.352 Base-Backbone interact. energy: -1.465 local terms energy: -333.046661 where: bonds (distance) C4'-P energy: -55.060 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -69.458 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -96.304 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: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1016.558658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.558658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.558658 (E_RNA) where: Base-Base interactions energy: -717.820 where: short stacking energy: -312.953 Base-Backbone interact. energy: -2.479 local terms energy: -296.259201 where: bonds (distance) C4'-P energy: -43.320 bonds (distance) P-C4' energy: -64.193 flat angles C4'-P-C4' energy: -66.104 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -89.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -999.629719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.629719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.629719 (E_RNA) where: Base-Base interactions energy: -691.329 where: short stacking energy: -313.868 Base-Backbone interact. energy: 0.323 local terms energy: -308.624222 where: bonds (distance) C4'-P energy: -48.833 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -63.762 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -81.930 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: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1026.388125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.388125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.388125 (E_RNA) where: Base-Base interactions energy: -701.363 where: short stacking energy: -314.140 Base-Backbone interact. energy: -0.816 local terms energy: -324.209240 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -67.119 flat angles C4'-P-C4' energy: -67.985 flat angles P-C4'-P energy: -50.036 tors. eta vs tors. theta energy: -81.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -872.056266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.056266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.056266 (E_RNA) where: Base-Base interactions energy: -590.438 where: short stacking energy: -254.001 Base-Backbone interact. energy: -0.888 local terms energy: -280.730060 where: bonds (distance) C4'-P energy: -57.032 bonds (distance) P-C4' energy: -54.652 flat angles C4'-P-C4' energy: -66.265 flat angles P-C4'-P energy: -42.632 tors. eta vs tors. theta energy: -60.148 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: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -799.015493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.015493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.015493 (E_RNA) where: Base-Base interactions energy: -527.265 where: short stacking energy: -226.523 Base-Backbone interact. energy: 2.318 local terms energy: -274.068699 where: bonds (distance) C4'-P energy: -57.139 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -62.878 flat angles P-C4'-P energy: -37.740 tors. eta vs tors. theta energy: -58.715 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: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -767.618365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.618365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.618365 (E_RNA) where: Base-Base interactions energy: -522.170 where: short stacking energy: -227.644 Base-Backbone interact. energy: -2.836 local terms energy: -242.612461 where: bonds (distance) C4'-P energy: -49.814 bonds (distance) P-C4' energy: -46.844 flat angles C4'-P-C4' energy: -62.218 flat angles P-C4'-P energy: -33.940 tors. eta vs tors. theta energy: -49.797 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -715.324201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.324201 (E_RNA) where: Base-Base interactions energy: -474.922 where: short stacking energy: -238.199 Base-Backbone interact. energy: -2.269 local terms energy: -238.133112 where: bonds (distance) C4'-P energy: -40.718 bonds (distance) P-C4' energy: -47.167 flat angles C4'-P-C4' energy: -64.263 flat angles P-C4'-P energy: -28.910 tors. eta vs tors. theta energy: -57.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -493.944264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.944264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.944264 (E_RNA) where: Base-Base interactions energy: -303.756 where: short stacking energy: -139.500 Base-Backbone interact. energy: -1.190 local terms energy: -188.998482 where: bonds (distance) C4'-P energy: -53.625 bonds (distance) P-C4' energy: -46.979 flat angles C4'-P-C4' energy: -42.164 flat angles P-C4'-P energy: -34.950 tors. eta vs tors. theta energy: -11.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1119.943335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.943335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.943335 (E_RNA) where: Base-Base interactions energy: -788.413 where: short stacking energy: -361.658 Base-Backbone interact. energy: -1.213 local terms energy: -330.317506 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -77.096 flat angles P-C4'-P energy: -32.695 tors. eta vs tors. theta energy: -99.151 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: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1134.830831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.830831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.830831 (E_RNA) where: Base-Base interactions energy: -785.439 where: short stacking energy: -330.753 Base-Backbone interact. energy: 0.029 local terms energy: -349.420432 where: bonds (distance) C4'-P energy: -60.235 bonds (distance) P-C4' energy: -66.899 flat angles C4'-P-C4' energy: -70.652 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -99.225 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: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1039.364095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.364095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.364095 (E_RNA) where: Base-Base interactions energy: -728.294 where: short stacking energy: -325.595 Base-Backbone interact. energy: -1.538 local terms energy: -309.532593 where: bonds (distance) C4'-P energy: -51.625 bonds (distance) P-C4' energy: -61.652 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -45.220 tors. eta vs tors. theta energy: -85.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -992.406551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.406551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.406551 (E_RNA) where: Base-Base interactions energy: -685.763 where: short stacking energy: -295.073 Base-Backbone interact. energy: -1.852 local terms energy: -304.791021 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -63.645 flat angles C4'-P-C4' energy: -65.709 flat angles P-C4'-P energy: -42.415 tors. eta vs tors. theta energy: -81.682 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: 158 Temperature: 1.100000 Total energy: -1014.561390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.561390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.561390 (E_RNA) where: Base-Base interactions energy: -708.911 where: short stacking energy: -307.541 Base-Backbone interact. energy: -1.430 local terms energy: -304.220433 where: bonds (distance) C4'-P energy: -59.354 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -62.511 flat angles P-C4'-P energy: -37.942 tors. eta vs tors. theta energy: -83.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -881.011235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.011235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.011235 (E_RNA) where: Base-Base interactions energy: -604.457 where: short stacking energy: -273.902 Base-Backbone interact. energy: -1.164 local terms energy: -275.390217 where: bonds (distance) C4'-P energy: -50.790 bonds (distance) P-C4' energy: -58.215 flat angles C4'-P-C4' energy: -58.553 flat angles P-C4'-P energy: -39.359 tors. eta vs tors. theta energy: -68.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -844.819570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.819570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.819570 (E_RNA) where: Base-Base interactions energy: -552.771 where: short stacking energy: -265.130 Base-Backbone interact. energy: -3.063 local terms energy: -288.985732 where: bonds (distance) C4'-P energy: -55.914 bonds (distance) P-C4' energy: -56.876 flat angles C4'-P-C4' energy: -65.438 flat angles P-C4'-P energy: -35.525 tors. eta vs tors. theta energy: -75.233 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: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -797.660825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.660825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.660825 (E_RNA) where: Base-Base interactions energy: -548.035 where: short stacking energy: -229.916 Base-Backbone interact. energy: 1.044 local terms energy: -250.669792 where: bonds (distance) C4'-P energy: -42.825 bonds (distance) P-C4' energy: -52.331 flat angles C4'-P-C4' energy: -64.928 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: -47.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -707.981193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.981193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.981193 (E_RNA) where: Base-Base interactions energy: -495.120 where: short stacking energy: -225.140 Base-Backbone interact. energy: 1.007 local terms energy: -213.867570 where: bonds (distance) C4'-P energy: -42.812 bonds (distance) P-C4' energy: -46.574 flat angles C4'-P-C4' energy: -48.079 flat angles P-C4'-P energy: -33.965 tors. eta vs tors. theta energy: -42.437 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: 158 Temperature: 1.350000 Total energy: -488.344846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.344846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.344846 (E_RNA) where: Base-Base interactions energy: -288.815 where: short stacking energy: -138.626 Base-Backbone interact. energy: 0.623 local terms energy: -200.152843 where: bonds (distance) C4'-P energy: -44.939 bonds (distance) P-C4' energy: -58.003 flat angles C4'-P-C4' energy: -45.984 flat angles P-C4'-P energy: -37.371 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: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1115.972394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.972394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.972394 (E_RNA) where: Base-Base interactions energy: -788.512 where: short stacking energy: -352.968 Base-Backbone interact. energy: 2.043 local terms energy: -329.504106 where: bonds (distance) C4'-P energy: -68.863 bonds (distance) P-C4' energy: -63.037 flat angles C4'-P-C4' energy: -63.214 flat angles P-C4'-P energy: -43.659 tors. eta vs tors. theta energy: -90.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1114.609746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.609746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.609746 (E_RNA) where: Base-Base interactions energy: -785.564 where: short stacking energy: -324.740 Base-Backbone interact. energy: 0.050 local terms energy: -329.095326 where: bonds (distance) C4'-P energy: -61.197 bonds (distance) P-C4' energy: -74.702 flat angles C4'-P-C4' energy: -59.141 flat angles P-C4'-P energy: -40.183 tors. eta vs tors. theta energy: -93.872 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: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1070.060708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.060708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.060708 (E_RNA) where: Base-Base interactions energy: -737.775 where: short stacking energy: -329.060 Base-Backbone interact. energy: 2.427 local terms energy: -334.713054 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -63.391 flat angles C4'-P-C4' energy: -75.381 flat angles P-C4'-P energy: -44.750 tors. eta vs tors. theta energy: -87.234 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: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1025.500849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.500849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.500849 (E_RNA) where: Base-Base interactions energy: -707.011 where: short stacking energy: -317.057 Base-Backbone interact. energy: -0.968 local terms energy: -317.521732 where: bonds (distance) C4'-P energy: -63.348 bonds (distance) P-C4' energy: -63.302 flat angles C4'-P-C4' energy: -64.949 flat angles P-C4'-P energy: -38.204 tors. eta vs tors. theta energy: -87.719 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: 159 Temperature: 1.100000 Total energy: -968.606108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.606108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.606108 (E_RNA) where: Base-Base interactions energy: -674.318 where: short stacking energy: -271.204 Base-Backbone interact. energy: -1.983 local terms energy: -292.304653 where: bonds (distance) C4'-P energy: -53.368 bonds (distance) P-C4' energy: -57.564 flat angles C4'-P-C4' energy: -67.154 flat angles P-C4'-P energy: -41.248 tors. eta vs tors. theta energy: -72.971 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: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -916.012233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.012233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.012233 (E_RNA) where: Base-Base interactions energy: -609.443 where: short stacking energy: -286.005 Base-Backbone interact. energy: -1.310 local terms energy: -305.259015 where: bonds (distance) C4'-P energy: -60.376 bonds (distance) P-C4' energy: -50.898 flat angles C4'-P-C4' energy: -70.589 flat angles P-C4'-P energy: -46.435 tors. eta vs tors. theta energy: -76.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -875.232799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.232799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.232799 (E_RNA) where: Base-Base interactions energy: -607.726 where: short stacking energy: -249.568 Base-Backbone interact. energy: -0.220 local terms energy: -267.286978 where: bonds (distance) C4'-P energy: -50.139 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -57.491 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -63.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -768.637742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.637742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.637742 (E_RNA) where: Base-Base interactions energy: -495.023 where: short stacking energy: -243.890 Base-Backbone interact. energy: -1.088 local terms energy: -272.526857 where: bonds (distance) C4'-P energy: -52.717 bonds (distance) P-C4' energy: -52.120 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -38.826 tors. eta vs tors. theta energy: -66.215 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: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -759.337704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.337704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.337704 (E_RNA) where: Base-Base interactions energy: -516.418 where: short stacking energy: -202.452 Base-Backbone interact. energy: -0.261 local terms energy: -242.658069 where: bonds (distance) C4'-P energy: -51.913 bonds (distance) P-C4' energy: -55.956 flat angles C4'-P-C4' energy: -46.872 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -47.172 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -518.491774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.491774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.491774 (E_RNA) where: Base-Base interactions energy: -298.104 where: short stacking energy: -159.450 Base-Backbone interact. energy: -0.726 local terms energy: -219.662020 where: bonds (distance) C4'-P energy: -53.236 bonds (distance) P-C4' energy: -61.958 flat angles C4'-P-C4' energy: -47.906 flat angles P-C4'-P energy: -34.108 tors. eta vs tors. theta energy: -22.454 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: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1134.402814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.402814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.402814 (E_RNA) where: Base-Base interactions energy: -795.834 where: short stacking energy: -334.048 Base-Backbone interact. energy: -0.730 local terms energy: -337.839033 where: bonds (distance) C4'-P energy: -58.903 bonds (distance) P-C4' energy: -73.397 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -91.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1099.726389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.726389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.726389 (E_RNA) where: Base-Base interactions energy: -750.776 where: short stacking energy: -348.562 Base-Backbone interact. energy: -1.062 local terms energy: -347.888492 where: bonds (distance) C4'-P energy: -68.080 bonds (distance) P-C4' energy: -65.319 flat angles C4'-P-C4' energy: -67.359 flat angles P-C4'-P energy: -51.058 tors. eta vs tors. theta energy: -96.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1041.913658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.913658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.913658 (E_RNA) where: Base-Base interactions energy: -714.014 where: short stacking energy: -314.955 Base-Backbone interact. energy: -0.773 local terms energy: -327.126666 where: bonds (distance) C4'-P energy: -53.481 bonds (distance) P-C4' energy: -62.313 flat angles C4'-P-C4' energy: -70.361 flat angles P-C4'-P energy: -53.843 tors. eta vs tors. theta energy: -87.130 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: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1018.952630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.952630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.952630 (E_RNA) where: Base-Base interactions energy: -704.322 where: short stacking energy: -314.791 Base-Backbone interact. energy: -0.464 local terms energy: -314.166330 where: bonds (distance) C4'-P energy: -55.178 bonds (distance) P-C4' energy: -64.160 flat angles C4'-P-C4' energy: -66.386 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -91.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -962.032704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.032704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.032704 (E_RNA) where: Base-Base interactions energy: -669.063 where: short stacking energy: -268.658 Base-Backbone interact. energy: -0.340 local terms energy: -292.629200 where: bonds (distance) C4'-P energy: -54.428 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -63.244 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: -76.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -891.717945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.717945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.717945 (E_RNA) where: Base-Base interactions energy: -589.016 where: short stacking energy: -287.218 Base-Backbone interact. energy: -0.768 local terms energy: -301.934315 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -57.534 flat angles C4'-P-C4' energy: -64.419 flat angles P-C4'-P energy: -42.615 tors. eta vs tors. theta energy: -77.320 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: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -855.902088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.902088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.902088 (E_RNA) where: Base-Base interactions energy: -577.839 where: short stacking energy: -272.860 Base-Backbone interact. energy: 0.493 local terms energy: -278.556123 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -55.450 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -62.660 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: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -778.553964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.553964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.553964 (E_RNA) where: Base-Base interactions energy: -519.612 where: short stacking energy: -241.835 Base-Backbone interact. energy: 0.840 local terms energy: -259.781747 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -56.292 flat angles P-C4'-P energy: -29.210 tors. eta vs tors. theta energy: -55.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -720.111789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.111789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.111789 (E_RNA) where: Base-Base interactions energy: -497.845 where: short stacking energy: -215.670 Base-Backbone interact. energy: 2.040 local terms energy: -224.307505 where: bonds (distance) C4'-P energy: -42.778 bonds (distance) P-C4' energy: -52.716 flat angles C4'-P-C4' energy: -48.698 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -42.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -510.706166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.706166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.706166 (E_RNA) where: Base-Base interactions energy: -312.141 where: short stacking energy: -153.764 Base-Backbone interact. energy: 0.842 local terms energy: -199.406832 where: bonds (distance) C4'-P energy: -47.167 bonds (distance) P-C4' energy: -57.000 flat angles C4'-P-C4' energy: -38.492 flat angles P-C4'-P energy: -34.527 tors. eta vs tors. theta energy: -22.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1121.699331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.699331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.699331 (E_RNA) where: Base-Base interactions energy: -767.753 where: short stacking energy: -348.324 Base-Backbone interact. energy: -0.784 local terms energy: -353.162906 where: bonds (distance) C4'-P energy: -68.529 bonds (distance) P-C4' energy: -65.000 flat angles C4'-P-C4' energy: -68.909 flat angles P-C4'-P energy: -49.313 tors. eta vs tors. theta energy: -101.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1105.337136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.337136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.337136 (E_RNA) where: Base-Base interactions energy: -757.401 where: short stacking energy: -333.514 Base-Backbone interact. energy: 0.568 local terms energy: -348.504873 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -88.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1042.380623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.380623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.380623 (E_RNA) where: Base-Base interactions energy: -739.790 where: short stacking energy: -326.871 Base-Backbone interact. energy: -0.653 local terms energy: -301.937296 where: bonds (distance) C4'-P energy: -59.801 bonds (distance) P-C4' energy: -52.547 flat angles C4'-P-C4' energy: -54.224 flat angles P-C4'-P energy: -41.528 tors. eta vs tors. theta energy: -93.837 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: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1018.544134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.544134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.544134 (E_RNA) where: Base-Base interactions energy: -723.410 where: short stacking energy: -310.470 Base-Backbone interact. energy: 1.729 local terms energy: -296.863134 where: bonds (distance) C4'-P energy: -44.363 bonds (distance) P-C4' energy: -55.514 flat angles C4'-P-C4' energy: -67.707 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -88.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -944.191949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.191949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.191949 (E_RNA) where: Base-Base interactions energy: -638.911 where: short stacking energy: -266.190 Base-Backbone interact. energy: 1.423 local terms energy: -306.704102 where: bonds (distance) C4'-P energy: -65.225 bonds (distance) P-C4' energy: -65.623 flat angles C4'-P-C4' energy: -61.577 flat angles P-C4'-P energy: -37.941 tors. eta vs tors. theta energy: -76.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -827.551840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.551840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.551840 (E_RNA) where: Base-Base interactions energy: -554.798 where: short stacking energy: -260.131 Base-Backbone interact. energy: -0.422 local terms energy: -272.331320 where: bonds (distance) C4'-P energy: -56.663 bonds (distance) P-C4' energy: -48.255 flat angles C4'-P-C4' energy: -58.250 flat angles P-C4'-P energy: -39.419 tors. eta vs tors. theta energy: -69.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -864.566806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.566806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.566806 (E_RNA) where: Base-Base interactions energy: -602.934 where: short stacking energy: -265.531 Base-Backbone interact. energy: -0.773 local terms energy: -260.859565 where: bonds (distance) C4'-P energy: -60.087 bonds (distance) P-C4' energy: -46.145 flat angles C4'-P-C4' energy: -50.762 flat angles P-C4'-P energy: -36.169 tors. eta vs tors. theta energy: -67.696 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: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -763.310810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.310810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.310810 (E_RNA) where: Base-Base interactions energy: -508.533 where: short stacking energy: -218.015 Base-Backbone interact. energy: -1.350 local terms energy: -253.427929 where: bonds (distance) C4'-P energy: -42.631 bonds (distance) P-C4' energy: -51.151 flat angles C4'-P-C4' energy: -62.881 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: -57.924 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: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -699.701467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.701467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.701467 (E_RNA) where: Base-Base interactions energy: -452.648 where: short stacking energy: -215.655 Base-Backbone interact. energy: -2.359 local terms energy: -244.694804 where: bonds (distance) C4'-P energy: -46.122 bonds (distance) P-C4' energy: -56.322 flat angles C4'-P-C4' energy: -50.248 flat angles P-C4'-P energy: -39.091 tors. eta vs tors. theta energy: -52.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -529.906086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.906086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.906086 (E_RNA) where: Base-Base interactions energy: -314.561 where: short stacking energy: -148.208 Base-Backbone interact. energy: 0.303 local terms energy: -215.647810 where: bonds (distance) C4'-P energy: -42.271 bonds (distance) P-C4' energy: -58.696 flat angles C4'-P-C4' energy: -47.683 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -25.603 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1127.331013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.331013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.331013 (E_RNA) where: Base-Base interactions energy: -779.016 where: short stacking energy: -348.113 Base-Backbone interact. energy: 1.075 local terms energy: -349.390905 where: bonds (distance) C4'-P energy: -62.224 bonds (distance) P-C4' energy: -74.358 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -92.667 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: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1117.099210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.099210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.099210 (E_RNA) where: Base-Base interactions energy: -758.409 where: short stacking energy: -353.880 Base-Backbone interact. energy: -1.079 local terms energy: -357.611313 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -46.300 tors. eta vs tors. theta energy: -106.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1042.134357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.134357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.134357 (E_RNA) where: Base-Base interactions energy: -699.261 where: short stacking energy: -331.330 Base-Backbone interact. energy: 0.646 local terms energy: -343.519274 where: bonds (distance) C4'-P energy: -63.219 bonds (distance) P-C4' energy: -65.344 flat angles C4'-P-C4' energy: -76.002 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: -96.402 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: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1021.751202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.751202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.751202 (E_RNA) where: Base-Base interactions energy: -711.222 where: short stacking energy: -321.571 Base-Backbone interact. energy: 1.905 local terms energy: -312.433930 where: bonds (distance) C4'-P energy: -48.163 bonds (distance) P-C4' energy: -59.552 flat angles C4'-P-C4' energy: -69.777 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -84.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -957.971944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.971944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.971944 (E_RNA) where: Base-Base interactions energy: -666.036 where: short stacking energy: -279.196 Base-Backbone interact. energy: -2.157 local terms energy: -289.779176 where: bonds (distance) C4'-P energy: -57.673 bonds (distance) P-C4' energy: -50.366 flat angles C4'-P-C4' energy: -73.307 flat angles P-C4'-P energy: -37.818 tors. eta vs tors. theta energy: -70.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -835.100835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.100835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.100835 (E_RNA) where: Base-Base interactions energy: -582.202 where: short stacking energy: -250.152 Base-Backbone interact. energy: -0.985 local terms energy: -251.914301 where: bonds (distance) C4'-P energy: -54.958 bonds (distance) P-C4' energy: -50.137 flat angles C4'-P-C4' energy: -55.094 flat angles P-C4'-P energy: -28.542 tors. eta vs tors. theta energy: -63.185 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -872.739738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.739738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.739738 (E_RNA) where: Base-Base interactions energy: -599.415 where: short stacking energy: -265.806 Base-Backbone interact. energy: -1.545 local terms energy: -271.779894 where: bonds (distance) C4'-P energy: -52.517 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -62.574 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -61.903 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: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -782.722914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.722914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.722914 (E_RNA) where: Base-Base interactions energy: -532.779 where: short stacking energy: -247.805 Base-Backbone interact. energy: -0.208 local terms energy: -249.736181 where: bonds (distance) C4'-P energy: -41.571 bonds (distance) P-C4' energy: -57.509 flat angles C4'-P-C4' energy: -53.050 flat angles P-C4'-P energy: -40.649 tors. eta vs tors. theta energy: -56.958 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: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -636.305244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.305244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.305244 (E_RNA) where: Base-Base interactions energy: -413.505 where: short stacking energy: -188.745 Base-Backbone interact. energy: -1.107 local terms energy: -221.692859 where: bonds (distance) C4'-P energy: -41.917 bonds (distance) P-C4' energy: -64.584 flat angles C4'-P-C4' energy: -50.307 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -30.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -537.225497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.225497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.225497 (E_RNA) where: Base-Base interactions energy: -334.392 where: short stacking energy: -155.874 Base-Backbone interact. energy: -2.484 local terms energy: -200.349172 where: bonds (distance) C4'-P energy: -50.146 bonds (distance) P-C4' energy: -48.026 flat angles C4'-P-C4' energy: -42.597 flat angles P-C4'-P energy: -36.331 tors. eta vs tors. theta energy: -23.249 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: 163 Temperature: 0.900000 Total energy: -1124.882705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.882705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.882705 (E_RNA) where: Base-Base interactions energy: -779.285 where: short stacking energy: -355.931 Base-Backbone interact. energy: -1.355 local terms energy: -344.242440 where: bonds (distance) C4'-P energy: -64.084 bonds (distance) P-C4' energy: -68.394 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -96.514 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: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1100.914189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.914189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.914189 (E_RNA) where: Base-Base interactions energy: -754.587 where: short stacking energy: -346.258 Base-Backbone interact. energy: -0.825 local terms energy: -345.502216 where: bonds (distance) C4'-P energy: -55.637 bonds (distance) P-C4' energy: -64.091 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -47.675 tors. eta vs tors. theta energy: -102.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1026.697549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.697549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.697549 (E_RNA) where: Base-Base interactions energy: -704.677 where: short stacking energy: -339.337 Base-Backbone interact. energy: -0.441 local terms energy: -321.579691 where: bonds (distance) C4'-P energy: -64.995 bonds (distance) P-C4' energy: -64.909 flat angles C4'-P-C4' energy: -63.044 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -92.196 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: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1007.994177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.994177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.994177 (E_RNA) where: Base-Base interactions energy: -701.622 where: short stacking energy: -324.840 Base-Backbone interact. energy: -0.403 local terms energy: -305.968612 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -61.044 flat angles C4'-P-C4' energy: -56.408 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -89.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -987.346201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.346201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.346201 (E_RNA) where: Base-Base interactions energy: -679.926 where: short stacking energy: -283.223 Base-Backbone interact. energy: 0.357 local terms energy: -307.777490 where: bonds (distance) C4'-P energy: -61.158 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -42.809 tors. eta vs tors. theta energy: -86.442 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: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -905.376726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.376726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.376726 (E_RNA) where: Base-Base interactions energy: -612.287 where: short stacking energy: -279.145 Base-Backbone interact. energy: -1.061 local terms energy: -292.029109 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -63.540 flat angles P-C4'-P energy: -40.336 tors. eta vs tors. theta energy: -67.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -856.735288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.735288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.735288 (E_RNA) where: Base-Base interactions energy: -605.166 where: short stacking energy: -259.173 Base-Backbone interact. energy: -0.816 local terms energy: -250.753540 where: bonds (distance) C4'-P energy: -46.996 bonds (distance) P-C4' energy: -43.581 flat angles C4'-P-C4' energy: -59.345 flat angles P-C4'-P energy: -32.064 tors. eta vs tors. theta energy: -68.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -727.312660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.312660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.312660 (E_RNA) where: Base-Base interactions energy: -488.259 where: short stacking energy: -214.842 Base-Backbone interact. energy: 0.512 local terms energy: -239.565719 where: bonds (distance) C4'-P energy: -51.816 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -55.713 flat angles P-C4'-P energy: -39.070 tors. eta vs tors. theta energy: -32.803 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: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -628.742856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.742856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.742856 (E_RNA) where: Base-Base interactions energy: -408.295 where: short stacking energy: -193.333 Base-Backbone interact. energy: -1.484 local terms energy: -218.963849 where: bonds (distance) C4'-P energy: -43.679 bonds (distance) P-C4' energy: -49.715 flat angles C4'-P-C4' energy: -57.001 flat angles P-C4'-P energy: -24.649 tors. eta vs tors. theta energy: -43.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -500.936549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.936549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.936549 (E_RNA) where: Base-Base interactions energy: -316.621 where: short stacking energy: -151.530 Base-Backbone interact. energy: -2.111 local terms energy: -182.204421 where: bonds (distance) C4'-P energy: -45.595 bonds (distance) P-C4' energy: -51.272 flat angles C4'-P-C4' energy: -51.314 flat angles P-C4'-P energy: -23.758 tors. eta vs tors. theta energy: -10.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1147.345346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.345346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.345346 (E_RNA) where: Base-Base interactions energy: -799.251 where: short stacking energy: -362.073 Base-Backbone interact. energy: -0.240 local terms energy: -347.854281 where: bonds (distance) C4'-P energy: -57.581 bonds (distance) P-C4' energy: -69.097 flat angles C4'-P-C4' energy: -77.772 flat angles P-C4'-P energy: -47.399 tors. eta vs tors. theta energy: -96.005 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: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1093.158772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.158772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.158772 (E_RNA) where: Base-Base interactions energy: -757.266 where: short stacking energy: -330.978 Base-Backbone interact. energy: 1.807 local terms energy: -337.699701 where: bonds (distance) C4'-P energy: -59.409 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -67.350 flat angles P-C4'-P energy: -47.380 tors. eta vs tors. theta energy: -97.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1056.802172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.802172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.802172 (E_RNA) where: Base-Base interactions energy: -733.917 where: short stacking energy: -335.942 Base-Backbone interact. energy: -0.694 local terms energy: -322.190984 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -56.361 flat angles C4'-P-C4' energy: -71.508 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -94.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1003.749516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.749516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.749516 (E_RNA) where: Base-Base interactions energy: -700.296 where: short stacking energy: -309.081 Base-Backbone interact. energy: 2.175 local terms energy: -305.628120 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -50.053 flat angles C4'-P-C4' energy: -63.701 flat angles P-C4'-P energy: -45.791 tors. eta vs tors. theta energy: -88.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -993.012480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.012480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.012480 (E_RNA) where: Base-Base interactions energy: -682.805 where: short stacking energy: -297.814 Base-Backbone interact. energy: -1.337 local terms energy: -308.870552 where: bonds (distance) C4'-P energy: -59.768 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -61.971 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -89.477 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: 6, replica: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -880.265438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.265438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.265438 (E_RNA) where: Base-Base interactions energy: -604.632 where: short stacking energy: -264.109 Base-Backbone interact. energy: 2.986 local terms energy: -278.619963 where: bonds (distance) C4'-P energy: -60.699 bonds (distance) P-C4' energy: -49.643 flat angles C4'-P-C4' energy: -59.612 flat angles P-C4'-P energy: -36.054 tors. eta vs tors. theta energy: -72.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -819.645446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.645446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.645446 (E_RNA) where: Base-Base interactions energy: -547.747 where: short stacking energy: -235.963 Base-Backbone interact. energy: -0.680 local terms energy: -271.218751 where: bonds (distance) C4'-P energy: -57.915 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -67.185 flat angles P-C4'-P energy: -32.459 tors. eta vs tors. theta energy: -55.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -721.920151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.920151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.920151 (E_RNA) where: Base-Base interactions energy: -478.436 where: short stacking energy: -219.136 Base-Backbone interact. energy: -1.857 local terms energy: -241.626773 where: bonds (distance) C4'-P energy: -43.942 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -49.819 flat angles P-C4'-P energy: -37.014 tors. eta vs tors. theta energy: -45.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -668.097850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.097850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.097850 (E_RNA) where: Base-Base interactions energy: -456.337 where: short stacking energy: -205.588 Base-Backbone interact. energy: 0.707 local terms energy: -212.467130 where: bonds (distance) C4'-P energy: -56.653 bonds (distance) P-C4' energy: -43.978 flat angles C4'-P-C4' energy: -38.357 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -37.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -515.099778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.099778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.099778 (E_RNA) where: Base-Base interactions energy: -333.267 where: short stacking energy: -151.410 Base-Backbone interact. energy: 1.287 local terms energy: -183.119980 where: bonds (distance) C4'-P energy: -52.902 bonds (distance) P-C4' energy: -49.162 flat angles C4'-P-C4' energy: -47.572 flat angles P-C4'-P energy: -20.996 tors. eta vs tors. theta energy: -12.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1142.381536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.381536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.381536 (E_RNA) where: Base-Base interactions energy: -801.961 where: short stacking energy: -345.013 Base-Backbone interact. energy: -1.218 local terms energy: -339.202440 where: bonds (distance) C4'-P energy: -68.602 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -74.094 flat angles P-C4'-P energy: -37.585 tors. eta vs tors. theta energy: -95.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1080.748853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.748853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.748853 (E_RNA) where: Base-Base interactions energy: -731.558 where: short stacking energy: -341.232 Base-Backbone interact. energy: 0.071 local terms energy: -349.262627 where: bonds (distance) C4'-P energy: -62.287 bonds (distance) P-C4' energy: -71.455 flat angles C4'-P-C4' energy: -69.062 flat angles P-C4'-P energy: -50.673 tors. eta vs tors. theta energy: -95.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1077.747737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.747737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.747737 (E_RNA) where: Base-Base interactions energy: -736.287 where: short stacking energy: -338.875 Base-Backbone interact. energy: 0.208 local terms energy: -341.669037 where: bonds (distance) C4'-P energy: -60.380 bonds (distance) P-C4' energy: -66.284 flat angles C4'-P-C4' energy: -69.245 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -98.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1006.811761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.811761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.811761 (E_RNA) where: Base-Base interactions energy: -680.705 where: short stacking energy: -307.797 Base-Backbone interact. energy: -0.811 local terms energy: -325.295578 where: bonds (distance) C4'-P energy: -63.227 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -63.321 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: -90.698 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -985.818672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.818672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.818672 (E_RNA) where: Base-Base interactions energy: -689.483 where: short stacking energy: -297.081 Base-Backbone interact. energy: -1.117 local terms energy: -295.219262 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -36.533 tors. eta vs tors. theta energy: -81.432 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: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -890.257376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.257376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.257376 (E_RNA) where: Base-Base interactions energy: -591.206 where: short stacking energy: -265.998 Base-Backbone interact. energy: -1.470 local terms energy: -297.581409 where: bonds (distance) C4'-P energy: -65.808 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -58.774 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -62.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -827.985386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.985386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.985386 (E_RNA) where: Base-Base interactions energy: -555.105 where: short stacking energy: -265.862 Base-Backbone interact. energy: 3.145 local terms energy: -276.025469 where: bonds (distance) C4'-P energy: -44.197 bonds (distance) P-C4' energy: -51.170 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -37.458 tors. eta vs tors. theta energy: -72.689 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: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -678.004393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.004393 (E_RNA) where: Base-Base interactions energy: -438.734 where: short stacking energy: -206.328 Base-Backbone interact. energy: 1.599 local terms energy: -240.869217 where: bonds (distance) C4'-P energy: -54.247 bonds (distance) P-C4' energy: -59.299 flat angles C4'-P-C4' energy: -55.774 flat angles P-C4'-P energy: -26.242 tors. eta vs tors. theta energy: -45.307 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: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -757.402169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.402169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.402169 (E_RNA) where: Base-Base interactions energy: -509.343 where: short stacking energy: -250.977 Base-Backbone interact. energy: 1.545 local terms energy: -249.604023 where: bonds (distance) C4'-P energy: -56.540 bonds (distance) P-C4' energy: -45.886 flat angles C4'-P-C4' energy: -61.572 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -53.780 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: 165 Temperature: 1.350000 Total energy: -497.584921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.584921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.584921 (E_RNA) where: Base-Base interactions energy: -304.742 where: short stacking energy: -134.377 Base-Backbone interact. energy: -0.746 local terms energy: -192.097001 where: bonds (distance) C4'-P energy: -57.042 bonds (distance) P-C4' energy: -56.786 flat angles C4'-P-C4' energy: -49.807 flat angles P-C4'-P energy: -24.338 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1127.920907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.920907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.920907 (E_RNA) where: Base-Base interactions energy: -784.394 where: short stacking energy: -351.019 Base-Backbone interact. energy: 0.167 local terms energy: -343.694312 where: bonds (distance) C4'-P energy: -47.145 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -77.607 flat angles P-C4'-P energy: -50.585 tors. eta vs tors. theta energy: -98.322 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: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1055.180000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.180000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.180000 (E_RNA) where: Base-Base interactions energy: -715.855 where: short stacking energy: -320.705 Base-Backbone interact. energy: -0.433 local terms energy: -338.891617 where: bonds (distance) C4'-P energy: -72.701 bonds (distance) P-C4' energy: -60.493 flat angles C4'-P-C4' energy: -72.182 flat angles P-C4'-P energy: -46.384 tors. eta vs tors. theta energy: -87.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1099.333482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.333482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.333482 (E_RNA) where: Base-Base interactions energy: -754.497 where: short stacking energy: -331.921 Base-Backbone interact. energy: -0.430 local terms energy: -344.405833 where: bonds (distance) C4'-P energy: -64.088 bonds (distance) P-C4' energy: -64.210 flat angles C4'-P-C4' energy: -68.247 flat angles P-C4'-P energy: -40.305 tors. eta vs tors. theta energy: -107.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1000.116280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.116280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.116280 (E_RNA) where: Base-Base interactions energy: -685.236 where: short stacking energy: -324.348 Base-Backbone interact. energy: 3.103 local terms energy: -317.983308 where: bonds (distance) C4'-P energy: -52.254 bonds (distance) P-C4' energy: -51.687 flat angles C4'-P-C4' energy: -71.442 flat angles P-C4'-P energy: -43.477 tors. eta vs tors. theta energy: -99.123 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: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -962.511791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.511791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.511791 (E_RNA) where: Base-Base interactions energy: -672.873 where: short stacking energy: -294.355 Base-Backbone interact. energy: 1.118 local terms energy: -290.756828 where: bonds (distance) C4'-P energy: -56.999 bonds (distance) P-C4' energy: -51.460 flat angles C4'-P-C4' energy: -71.104 flat angles P-C4'-P energy: -35.370 tors. eta vs tors. theta energy: -75.824 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: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -882.359471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.359471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.359471 (E_RNA) where: Base-Base interactions energy: -597.126 where: short stacking energy: -271.029 Base-Backbone interact. energy: -0.653 local terms energy: -284.580380 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -41.401 tors. eta vs tors. theta energy: -60.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -805.607146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.607146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.607146 (E_RNA) where: Base-Base interactions energy: -532.419 where: short stacking energy: -249.998 Base-Backbone interact. energy: -0.376 local terms energy: -272.812074 where: bonds (distance) C4'-P energy: -56.752 bonds (distance) P-C4' energy: -46.636 flat angles C4'-P-C4' energy: -60.455 flat angles P-C4'-P energy: -40.863 tors. eta vs tors. theta energy: -68.106 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: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -617.828422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.828422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.828422 (E_RNA) where: Base-Base interactions energy: -404.630 where: short stacking energy: -191.396 Base-Backbone interact. energy: -1.357 local terms energy: -211.840994 where: bonds (distance) C4'-P energy: -40.574 bonds (distance) P-C4' energy: -49.935 flat angles C4'-P-C4' energy: -52.335 flat angles P-C4'-P energy: -32.513 tors. eta vs tors. theta energy: -36.484 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: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -673.689618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.689618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.689618 (E_RNA) where: Base-Base interactions energy: -432.581 where: short stacking energy: -206.224 Base-Backbone interact. energy: 0.141 local terms energy: -241.250197 where: bonds (distance) C4'-P energy: -68.754 bonds (distance) P-C4' energy: -45.107 flat angles C4'-P-C4' energy: -51.203 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: -42.815 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: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -525.857732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.857732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.857732 (E_RNA) where: Base-Base interactions energy: -307.276 where: short stacking energy: -164.812 Base-Backbone interact. energy: -0.781 local terms energy: -217.800436 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -50.697 flat angles C4'-P-C4' energy: -56.989 flat angles P-C4'-P energy: -27.146 tors. eta vs tors. theta energy: -23.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1121.841538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.841538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.841538 (E_RNA) where: Base-Base interactions energy: -785.910 where: short stacking energy: -356.896 Base-Backbone interact. energy: -0.477 local terms energy: -335.454707 where: bonds (distance) C4'-P energy: -59.568 bonds (distance) P-C4' energy: -70.574 flat angles C4'-P-C4' energy: -70.496 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: -87.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1111.858725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.858725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.858725 (E_RNA) where: Base-Base interactions energy: -777.289 where: short stacking energy: -344.329 Base-Backbone interact. energy: -1.456 local terms energy: -333.113280 where: bonds (distance) C4'-P energy: -48.719 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -73.468 flat angles P-C4'-P energy: -48.271 tors. eta vs tors. theta energy: -105.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1025.833272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.833272 (E_RNA) where: Base-Base interactions energy: -697.317 where: short stacking energy: -308.547 Base-Backbone interact. energy: -0.956 local terms energy: -327.559980 where: bonds (distance) C4'-P energy: -53.275 bonds (distance) P-C4' energy: -71.428 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -45.084 tors. eta vs tors. theta energy: -88.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1037.085037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.085037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.085037 (E_RNA) where: Base-Base interactions energy: -709.383 where: short stacking energy: -313.324 Base-Backbone interact. energy: -2.968 local terms energy: -324.734337 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -50.930 tors. eta vs tors. theta energy: -86.204 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: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -982.592929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.592929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.592929 (E_RNA) where: Base-Base interactions energy: -681.917 where: short stacking energy: -293.386 Base-Backbone interact. energy: -1.686 local terms energy: -298.989554 where: bonds (distance) C4'-P energy: -59.586 bonds (distance) P-C4' energy: -47.597 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -76.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -884.654075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.654075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.654075 (E_RNA) where: Base-Base interactions energy: -613.292 where: short stacking energy: -272.788 Base-Backbone interact. energy: -1.040 local terms energy: -270.322821 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -52.669 flat angles C4'-P-C4' energy: -65.848 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: -59.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -785.483331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.483331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.483331 (E_RNA) where: Base-Base interactions energy: -510.830 where: short stacking energy: -242.195 Base-Backbone interact. energy: -2.250 local terms energy: -272.403560 where: bonds (distance) C4'-P energy: -57.350 bonds (distance) P-C4' energy: -52.863 flat angles C4'-P-C4' energy: -57.107 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: -58.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -741.399838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.399838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.399838 (E_RNA) where: Base-Base interactions energy: -493.131 where: short stacking energy: -212.183 Base-Backbone interact. energy: 1.598 local terms energy: -249.867417 where: bonds (distance) C4'-P energy: -57.237 bonds (distance) P-C4' energy: -54.906 flat angles C4'-P-C4' energy: -52.145 flat angles P-C4'-P energy: -36.145 tors. eta vs tors. theta energy: -49.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -600.809529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.809529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.809529 (E_RNA) where: Base-Base interactions energy: -384.762 where: short stacking energy: -170.418 Base-Backbone interact. energy: 3.792 local terms energy: -219.839758 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -50.447 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -16.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -565.249145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.249145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.249145 (E_RNA) where: Base-Base interactions energy: -335.606 where: short stacking energy: -152.745 Base-Backbone interact. energy: -0.725 local terms energy: -228.917993 where: bonds (distance) C4'-P energy: -51.425 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -59.374 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -16.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1121.382875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.382875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.382875 (E_RNA) where: Base-Base interactions energy: -769.934 where: short stacking energy: -341.696 Base-Backbone interact. energy: -0.977 local terms energy: -350.472285 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -72.187 flat angles P-C4'-P energy: -51.980 tors. eta vs tors. theta energy: -92.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1104.776222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.776222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.776222 (E_RNA) where: Base-Base interactions energy: -761.461 where: short stacking energy: -326.806 Base-Backbone interact. energy: -2.769 local terms energy: -340.546395 where: bonds (distance) C4'-P energy: -63.355 bonds (distance) P-C4' energy: -57.884 flat angles C4'-P-C4' energy: -72.846 flat angles P-C4'-P energy: -52.618 tors. eta vs tors. theta energy: -93.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1039.922790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.922790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.922790 (E_RNA) where: Base-Base interactions energy: -707.345 where: short stacking energy: -322.104 Base-Backbone interact. energy: 0.212 local terms energy: -332.790028 where: bonds (distance) C4'-P energy: -66.519 bonds (distance) P-C4' energy: -62.206 flat angles C4'-P-C4' energy: -65.584 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -91.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1014.882357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.882357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.882357 (E_RNA) where: Base-Base interactions energy: -681.832 where: short stacking energy: -311.501 Base-Backbone interact. energy: -0.327 local terms energy: -332.724081 where: bonds (distance) C4'-P energy: -59.343 bonds (distance) P-C4' energy: -68.866 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -42.318 tors. eta vs tors. theta energy: -85.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -981.462724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.462724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.462724 (E_RNA) where: Base-Base interactions energy: -675.763 where: short stacking energy: -305.943 Base-Backbone interact. energy: 3.781 local terms energy: -309.480688 where: bonds (distance) C4'-P energy: -50.217 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -74.543 flat angles P-C4'-P energy: -41.489 tors. eta vs tors. theta energy: -78.258 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: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -946.235072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.235072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.235072 (E_RNA) where: Base-Base interactions energy: -654.818 where: short stacking energy: -276.205 Base-Backbone interact. energy: -1.500 local terms energy: -289.917280 where: bonds (distance) C4'-P energy: -63.506 bonds (distance) P-C4' energy: -46.704 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -74.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -818.647892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.647892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.647892 (E_RNA) where: Base-Base interactions energy: -543.949 where: short stacking energy: -252.975 Base-Backbone interact. energy: -1.947 local terms energy: -272.752353 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -63.546 flat angles C4'-P-C4' energy: -45.093 flat angles P-C4'-P energy: -34.270 tors. eta vs tors. theta energy: -71.335 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: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -729.847030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.847030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.847030 (E_RNA) where: Base-Base interactions energy: -485.506 where: short stacking energy: -230.737 Base-Backbone interact. energy: 2.317 local terms energy: -246.657415 where: bonds (distance) C4'-P energy: -56.092 bonds (distance) P-C4' energy: -56.641 flat angles C4'-P-C4' energy: -55.042 flat angles P-C4'-P energy: -22.171 tors. eta vs tors. theta energy: -56.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -532.742000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.742000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.742000 (E_RNA) where: Base-Base interactions energy: -341.636 where: short stacking energy: -148.152 Base-Backbone interact. energy: 3.932 local terms energy: -195.037932 where: bonds (distance) C4'-P energy: -50.890 bonds (distance) P-C4' energy: -55.546 flat angles C4'-P-C4' energy: -42.738 flat angles P-C4'-P energy: -32.346 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -535.181788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.181788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.181788 (E_RNA) where: Base-Base interactions energy: -337.114 where: short stacking energy: -159.419 Base-Backbone interact. energy: -1.138 local terms energy: -196.929173 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -59.274 flat angles C4'-P-C4' energy: -38.222 flat angles P-C4'-P energy: -41.838 tors. eta vs tors. theta energy: -9.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1130.808879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.808879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.808879 (E_RNA) where: Base-Base interactions energy: -794.032 where: short stacking energy: -349.529 Base-Backbone interact. energy: -2.296 local terms energy: -334.481092 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -65.333 flat angles C4'-P-C4' energy: -65.687 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: -97.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1084.134612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.134612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.134612 (E_RNA) where: Base-Base interactions energy: -740.876 where: short stacking energy: -341.385 Base-Backbone interact. energy: -1.550 local terms energy: -341.708796 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -60.364 flat angles C4'-P-C4' energy: -69.553 flat angles P-C4'-P energy: -48.653 tors. eta vs tors. theta energy: -98.376 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: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1041.151873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.151873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.151873 (E_RNA) where: Base-Base interactions energy: -700.287 where: short stacking energy: -324.793 Base-Backbone interact. energy: -1.759 local terms energy: -339.106039 where: bonds (distance) C4'-P energy: -65.575 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -84.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1020.415589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.415589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.415589 (E_RNA) where: Base-Base interactions energy: -712.759 where: short stacking energy: -290.846 Base-Backbone interact. energy: -1.795 local terms energy: -305.861795 where: bonds (distance) C4'-P energy: -60.791 bonds (distance) P-C4' energy: -50.974 flat angles C4'-P-C4' energy: -67.998 flat angles P-C4'-P energy: -41.946 tors. eta vs tors. theta energy: -84.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -970.183946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.183946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.183946 (E_RNA) where: Base-Base interactions energy: -646.911 where: short stacking energy: -294.231 Base-Backbone interact. energy: -1.809 local terms energy: -321.463534 where: bonds (distance) C4'-P energy: -53.330 bonds (distance) P-C4' energy: -62.528 flat angles C4'-P-C4' energy: -70.422 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -85.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -871.247514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.247514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.247514 (E_RNA) where: Base-Base interactions energy: -597.569 where: short stacking energy: -251.171 Base-Backbone interact. energy: 1.060 local terms energy: -274.738763 where: bonds (distance) C4'-P energy: -63.612 bonds (distance) P-C4' energy: -49.175 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -32.470 tors. eta vs tors. theta energy: -65.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -789.159652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.159652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.159652 (E_RNA) where: Base-Base interactions energy: -517.640 where: short stacking energy: -219.583 Base-Backbone interact. energy: 2.256 local terms energy: -273.775752 where: bonds (distance) C4'-P energy: -60.618 bonds (distance) P-C4' energy: -58.277 flat angles C4'-P-C4' energy: -55.655 flat angles P-C4'-P energy: -44.426 tors. eta vs tors. theta energy: -54.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -744.986279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.986279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.986279 (E_RNA) where: Base-Base interactions energy: -499.298 where: short stacking energy: -218.797 Base-Backbone interact. energy: 4.104 local terms energy: -249.792198 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -50.433 flat angles C4'-P-C4' energy: -58.180 flat angles P-C4'-P energy: -28.249 tors. eta vs tors. theta energy: -52.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -611.692106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.692106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.692106 (E_RNA) where: Base-Base interactions energy: -386.617 where: short stacking energy: -190.984 Base-Backbone interact. energy: 0.335 local terms energy: -225.410461 where: bonds (distance) C4'-P energy: -53.630 bonds (distance) P-C4' energy: -57.162 flat angles C4'-P-C4' energy: -41.355 flat angles P-C4'-P energy: -40.095 tors. eta vs tors. theta energy: -33.169 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: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -511.327428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.327428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.327428 (E_RNA) where: Base-Base interactions energy: -321.220 where: short stacking energy: -166.887 Base-Backbone interact. energy: 2.173 local terms energy: -192.280299 where: bonds (distance) C4'-P energy: -38.544 bonds (distance) P-C4' energy: -48.480 flat angles C4'-P-C4' energy: -46.959 flat angles P-C4'-P energy: -32.093 tors. eta vs tors. theta energy: -26.205 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: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1147.145065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.145065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.145065 (E_RNA) where: Base-Base interactions energy: -797.441 where: short stacking energy: -335.941 Base-Backbone interact. energy: -1.121 local terms energy: -348.583075 where: bonds (distance) C4'-P energy: -64.995 bonds (distance) P-C4' energy: -68.543 flat angles C4'-P-C4' energy: -73.789 flat angles P-C4'-P energy: -48.407 tors. eta vs tors. theta energy: -92.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1089.359676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.359676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.359676 (E_RNA) where: Base-Base interactions energy: -751.483 where: short stacking energy: -335.391 Base-Backbone interact. energy: -1.484 local terms energy: -336.392848 where: bonds (distance) C4'-P energy: -62.439 bonds (distance) P-C4' energy: -66.532 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: -94.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1037.905637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.905637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.905637 (E_RNA) where: Base-Base interactions energy: -708.209 where: short stacking energy: -310.159 Base-Backbone interact. energy: -1.460 local terms energy: -328.237025 where: bonds (distance) C4'-P energy: -60.928 bonds (distance) P-C4' energy: -71.335 flat angles C4'-P-C4' energy: -63.802 flat angles P-C4'-P energy: -42.084 tors. eta vs tors. theta energy: -90.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -996.121376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.121376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.121376 (E_RNA) where: Base-Base interactions energy: -680.431 where: short stacking energy: -315.312 Base-Backbone interact. energy: -1.153 local terms energy: -314.537554 where: bonds (distance) C4'-P energy: -53.533 bonds (distance) P-C4' energy: -66.587 flat angles C4'-P-C4' energy: -76.263 flat angles P-C4'-P energy: -37.937 tors. eta vs tors. theta energy: -80.218 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: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -939.452547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.452547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.452547 (E_RNA) where: Base-Base interactions energy: -645.266 where: short stacking energy: -278.761 Base-Backbone interact. energy: -1.318 local terms energy: -292.867934 where: bonds (distance) C4'-P energy: -60.640 bonds (distance) P-C4' energy: -53.630 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -41.088 tors. eta vs tors. theta energy: -70.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -873.878734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.878734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.878734 (E_RNA) where: Base-Base interactions energy: -589.312 where: short stacking energy: -264.999 Base-Backbone interact. energy: 1.405 local terms energy: -285.971687 where: bonds (distance) C4'-P energy: -51.331 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -71.586 flat angles P-C4'-P energy: -44.455 tors. eta vs tors. theta energy: -54.048 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: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -785.238955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.238955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.238955 (E_RNA) where: Base-Base interactions energy: -529.753 where: short stacking energy: -233.551 Base-Backbone interact. energy: -0.568 local terms energy: -254.917984 where: bonds (distance) C4'-P energy: -47.288 bonds (distance) P-C4' energy: -56.560 flat angles C4'-P-C4' energy: -53.916 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -61.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -721.352112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.352112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.352112 (E_RNA) where: Base-Base interactions energy: -475.014 where: short stacking energy: -224.417 Base-Backbone interact. energy: -1.581 local terms energy: -244.756976 where: bonds (distance) C4'-P energy: -50.650 bonds (distance) P-C4' energy: -53.928 flat angles C4'-P-C4' energy: -56.905 flat angles P-C4'-P energy: -33.742 tors. eta vs tors. theta energy: -49.533 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: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -557.951425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.951425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.951425 (E_RNA) where: Base-Base interactions energy: -339.106 where: short stacking energy: -175.478 Base-Backbone interact. energy: 0.003 local terms energy: -218.848245 where: bonds (distance) C4'-P energy: -36.762 bonds (distance) P-C4' energy: -61.982 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -24.187 tors. eta vs tors. theta energy: -33.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -495.407705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.407705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.407705 (E_RNA) where: Base-Base interactions energy: -305.978 where: short stacking energy: -147.306 Base-Backbone interact. energy: 1.994 local terms energy: -191.423887 where: bonds (distance) C4'-P energy: -43.177 bonds (distance) P-C4' energy: -46.443 flat angles C4'-P-C4' energy: -49.604 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: -12.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1141.447450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.447450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.447450 (E_RNA) where: Base-Base interactions energy: -795.395 where: short stacking energy: -348.309 Base-Backbone interact. energy: -1.962 local terms energy: -344.089911 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -69.101 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -100.825 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: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1073.811251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.811251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.811251 (E_RNA) where: Base-Base interactions energy: -747.060 where: short stacking energy: -326.235 Base-Backbone interact. energy: 5.313 local terms energy: -332.063881 where: bonds (distance) C4'-P energy: -59.786 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -49.336 tors. eta vs tors. theta energy: -86.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1033.127040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.127040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.127040 (E_RNA) where: Base-Base interactions energy: -706.814 where: short stacking energy: -304.545 Base-Backbone interact. energy: -0.769 local terms energy: -325.544278 where: bonds (distance) C4'-P energy: -65.691 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -37.614 tors. eta vs tors. theta energy: -91.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -994.856443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.856443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.856443 (E_RNA) where: Base-Base interactions energy: -676.038 where: short stacking energy: -300.797 Base-Backbone interact. energy: -0.143 local terms energy: -318.675139 where: bonds (distance) C4'-P energy: -58.139 bonds (distance) P-C4' energy: -57.627 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -83.961 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: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -979.178822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.178822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.178822 (E_RNA) where: Base-Base interactions energy: -665.912 where: short stacking energy: -292.146 Base-Backbone interact. energy: -2.691 local terms energy: -310.575577 where: bonds (distance) C4'-P energy: -59.293 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -74.607 flat angles P-C4'-P energy: -38.696 tors. eta vs tors. theta energy: -80.403 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: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -892.138573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.138573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.138573 (E_RNA) where: Base-Base interactions energy: -611.919 where: short stacking energy: -251.799 Base-Backbone interact. energy: -0.863 local terms energy: -279.356125 where: bonds (distance) C4'-P energy: -54.726 bonds (distance) P-C4' energy: -65.343 flat angles C4'-P-C4' energy: -63.299 flat angles P-C4'-P energy: -32.353 tors. eta vs tors. theta energy: -63.636 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: 171 Temperature: 1.200000 Total energy: -794.023106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.023106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.023106 (E_RNA) where: Base-Base interactions energy: -509.496 where: short stacking energy: -245.874 Base-Backbone interact. energy: 0.815 local terms energy: -285.341912 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -55.338 flat angles C4'-P-C4' energy: -51.651 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -70.347 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: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -704.495264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.495264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.495264 (E_RNA) where: Base-Base interactions energy: -461.678 where: short stacking energy: -223.629 Base-Backbone interact. energy: 0.519 local terms energy: -243.336739 where: bonds (distance) C4'-P energy: -58.359 bonds (distance) P-C4' energy: -27.896 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -50.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -552.897151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.897151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.897151 (E_RNA) where: Base-Base interactions energy: -343.582 where: short stacking energy: -144.566 Base-Backbone interact. energy: 1.509 local terms energy: -210.823431 where: bonds (distance) C4'-P energy: -49.582 bonds (distance) P-C4' energy: -47.989 flat angles C4'-P-C4' energy: -62.417 flat angles P-C4'-P energy: -30.438 tors. eta vs tors. theta energy: -20.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -527.577022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.577022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.577022 (E_RNA) where: Base-Base interactions energy: -316.686 where: short stacking energy: -158.831 Base-Backbone interact. energy: 1.290 local terms energy: -212.181178 where: bonds (distance) C4'-P energy: -56.857 bonds (distance) P-C4' energy: -52.197 flat angles C4'-P-C4' energy: -52.345 flat angles P-C4'-P energy: -33.359 tors. eta vs tors. theta energy: -17.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1139.547767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.547767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.547767 (E_RNA) where: Base-Base interactions energy: -797.245 where: short stacking energy: -348.667 Base-Backbone interact. energy: -1.415 local terms energy: -340.888192 where: bonds (distance) C4'-P energy: -61.868 bonds (distance) P-C4' energy: -60.794 flat angles C4'-P-C4' energy: -66.656 flat angles P-C4'-P energy: -48.200 tors. eta vs tors. theta energy: -103.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1088.023344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.023344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.023344 (E_RNA) where: Base-Base interactions energy: -764.977 where: short stacking energy: -329.894 Base-Backbone interact. energy: -0.819 local terms energy: -322.227292 where: bonds (distance) C4'-P energy: -54.841 bonds (distance) P-C4' energy: -55.003 flat angles C4'-P-C4' energy: -71.858 flat angles P-C4'-P energy: -38.595 tors. eta vs tors. theta energy: -101.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1041.854612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.854612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.854612 (E_RNA) where: Base-Base interactions energy: -712.577 where: short stacking energy: -300.380 Base-Backbone interact. energy: -1.867 local terms energy: -327.410494 where: bonds (distance) C4'-P energy: -62.861 bonds (distance) P-C4' energy: -55.082 flat angles C4'-P-C4' energy: -66.762 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -90.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -994.217485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.217485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.217485 (E_RNA) where: Base-Base interactions energy: -685.070 where: short stacking energy: -318.905 Base-Backbone interact. energy: -0.941 local terms energy: -308.206422 where: bonds (distance) C4'-P energy: -51.804 bonds (distance) P-C4' energy: -63.084 flat angles C4'-P-C4' energy: -67.106 flat angles P-C4'-P energy: -37.439 tors. eta vs tors. theta energy: -88.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -962.203079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.203079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.203079 (E_RNA) where: Base-Base interactions energy: -689.742 where: short stacking energy: -302.766 Base-Backbone interact. energy: -1.550 local terms energy: -270.910844 where: bonds (distance) C4'-P energy: -44.797 bonds (distance) P-C4' energy: -49.547 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -36.557 tors. eta vs tors. theta energy: -73.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -911.867916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.867916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.867916 (E_RNA) where: Base-Base interactions energy: -616.602 where: short stacking energy: -273.016 Base-Backbone interact. energy: -1.138 local terms energy: -294.127693 where: bonds (distance) C4'-P energy: -55.716 bonds (distance) P-C4' energy: -63.208 flat angles C4'-P-C4' energy: -70.051 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: -67.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -732.755759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.755759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.755759 (E_RNA) where: Base-Base interactions energy: -482.752 where: short stacking energy: -222.472 Base-Backbone interact. energy: 0.771 local terms energy: -250.774835 where: bonds (distance) C4'-P energy: -44.678 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -63.737 flat angles P-C4'-P energy: -32.133 tors. eta vs tors. theta energy: -54.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -777.664870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.664870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.664870 (E_RNA) where: Base-Base interactions energy: -520.439 where: short stacking energy: -237.716 Base-Backbone interact. energy: 0.208 local terms energy: -257.433243 where: bonds (distance) C4'-P energy: -48.265 bonds (distance) P-C4' energy: -52.149 flat angles C4'-P-C4' energy: -53.011 flat angles P-C4'-P energy: -39.411 tors. eta vs tors. theta energy: -64.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -590.262738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.262738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.262738 (E_RNA) where: Base-Base interactions energy: -362.130 where: short stacking energy: -175.903 Base-Backbone interact. energy: -0.782 local terms energy: -227.350763 where: bonds (distance) C4'-P energy: -47.798 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -35.946 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: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -504.109889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.109889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.109889 (E_RNA) where: Base-Base interactions energy: -324.583 where: short stacking energy: -160.784 Base-Backbone interact. energy: -1.368 local terms energy: -178.159398 where: bonds (distance) C4'-P energy: -55.956 bonds (distance) P-C4' energy: -40.960 flat angles C4'-P-C4' energy: -34.745 flat angles P-C4'-P energy: -17.765 tors. eta vs tors. theta energy: -28.733 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: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1143.277886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.277886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.277886 (E_RNA) where: Base-Base interactions energy: -803.563 where: short stacking energy: -349.747 Base-Backbone interact. energy: 0.104 local terms energy: -339.818110 where: bonds (distance) C4'-P energy: -59.419 bonds (distance) P-C4' energy: -60.729 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: -102.624 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: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1093.001742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.001742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.001742 (E_RNA) where: Base-Base interactions energy: -744.882 where: short stacking energy: -339.256 Base-Backbone interact. energy: -0.172 local terms energy: -347.947847 where: bonds (distance) C4'-P energy: -68.617 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -74.774 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: -93.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1051.648204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.648204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.648204 (E_RNA) where: Base-Base interactions energy: -723.525 where: short stacking energy: -310.880 Base-Backbone interact. energy: -2.964 local terms energy: -325.159410 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -72.935 flat angles C4'-P-C4' energy: -61.558 flat angles P-C4'-P energy: -34.149 tors. eta vs tors. theta energy: -92.434 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: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -977.376912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.376912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.376912 (E_RNA) where: Base-Base interactions energy: -672.825 where: short stacking energy: -302.808 Base-Backbone interact. energy: -0.459 local terms energy: -304.092486 where: bonds (distance) C4'-P energy: -63.302 bonds (distance) P-C4' energy: -64.715 flat angles C4'-P-C4' energy: -62.774 flat angles P-C4'-P energy: -36.978 tors. eta vs tors. theta energy: -76.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -978.343778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.343778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.343778 (E_RNA) where: Base-Base interactions energy: -675.439 where: short stacking energy: -301.196 Base-Backbone interact. energy: -1.043 local terms energy: -301.862077 where: bonds (distance) C4'-P energy: -49.051 bonds (distance) P-C4' energy: -66.000 flat angles C4'-P-C4' energy: -59.602 flat angles P-C4'-P energy: -41.353 tors. eta vs tors. theta energy: -85.855 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: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -915.973233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.973233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.973233 (E_RNA) where: Base-Base interactions energy: -621.512 where: short stacking energy: -281.191 Base-Backbone interact. energy: -0.487 local terms energy: -293.974117 where: bonds (distance) C4'-P energy: -69.291 bonds (distance) P-C4' energy: -49.176 flat angles C4'-P-C4' energy: -62.602 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -69.117 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: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -785.193470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.193470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.193470 (E_RNA) where: Base-Base interactions energy: -529.309 where: short stacking energy: -242.915 Base-Backbone interact. energy: -0.653 local terms energy: -255.231610 where: bonds (distance) C4'-P energy: -35.408 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -64.636 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -63.227 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: 173 Temperature: 1.250000 Total energy: -735.699823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.699823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.699823 (E_RNA) where: Base-Base interactions energy: -470.405 where: short stacking energy: -191.225 Base-Backbone interact. energy: 0.909 local terms energy: -266.203752 where: bonds (distance) C4'-P energy: -68.079 bonds (distance) P-C4' energy: -68.280 flat angles C4'-P-C4' energy: -50.908 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -40.710 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: 173 Temperature: 1.300000 Total energy: -565.439622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.439622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.439622 (E_RNA) where: Base-Base interactions energy: -349.188 where: short stacking energy: -174.932 Base-Backbone interact. energy: -1.030 local terms energy: -215.221964 where: bonds (distance) C4'-P energy: -46.377 bonds (distance) P-C4' energy: -54.829 flat angles C4'-P-C4' energy: -43.121 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -37.494 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -484.426482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.426482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.426482 (E_RNA) where: Base-Base interactions energy: -292.695 where: short stacking energy: -129.675 Base-Backbone interact. energy: -0.954 local terms energy: -190.777510 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -56.922 flat angles C4'-P-C4' energy: -43.408 flat angles P-C4'-P energy: -21.610 tors. eta vs tors. theta energy: -10.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1130.901129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.901129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.901129 (E_RNA) where: Base-Base interactions energy: -781.488 where: short stacking energy: -355.460 Base-Backbone interact. energy: -0.706 local terms energy: -348.707268 where: bonds (distance) C4'-P energy: -61.879 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -45.689 tors. eta vs tors. theta energy: -95.979 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: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1075.448316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.448316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.448316 (E_RNA) where: Base-Base interactions energy: -728.997 where: short stacking energy: -325.062 Base-Backbone interact. energy: -1.117 local terms energy: -345.334191 where: bonds (distance) C4'-P energy: -67.222 bonds (distance) P-C4' energy: -67.420 flat angles C4'-P-C4' energy: -71.900 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: -100.370 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: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1040.950483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.950483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.950483 (E_RNA) where: Base-Base interactions energy: -712.617 where: short stacking energy: -309.391 Base-Backbone interact. energy: -2.060 local terms energy: -326.274217 where: bonds (distance) C4'-P energy: -63.543 bonds (distance) P-C4' energy: -62.880 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -84.551 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: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -976.333336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.333336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.333336 (E_RNA) where: Base-Base interactions energy: -680.059 where: short stacking energy: -309.041 Base-Backbone interact. energy: 1.002 local terms energy: -297.275827 where: bonds (distance) C4'-P energy: -54.878 bonds (distance) P-C4' energy: -55.317 flat angles C4'-P-C4' energy: -63.228 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -80.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -982.668236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.668236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.668236 (E_RNA) where: Base-Base interactions energy: -677.195 where: short stacking energy: -292.646 Base-Backbone interact. energy: 1.558 local terms energy: -307.031404 where: bonds (distance) C4'-P energy: -54.651 bonds (distance) P-C4' energy: -68.760 flat angles C4'-P-C4' energy: -63.347 flat angles P-C4'-P energy: -34.865 tors. eta vs tors. theta energy: -85.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -924.264745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.264745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.264745 (E_RNA) where: Base-Base interactions energy: -629.263 where: short stacking energy: -278.171 Base-Backbone interact. energy: -0.717 local terms energy: -294.285278 where: bonds (distance) C4'-P energy: -65.746 bonds (distance) P-C4' energy: -49.817 flat angles C4'-P-C4' energy: -69.592 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -68.215 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: 174 Temperature: 1.200000 Total energy: -768.292845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.292845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.292845 (E_RNA) where: Base-Base interactions energy: -508.452 where: short stacking energy: -251.598 Base-Backbone interact. energy: 1.707 local terms energy: -261.548234 where: bonds (distance) C4'-P energy: -60.744 bonds (distance) P-C4' energy: -51.520 flat angles C4'-P-C4' energy: -50.807 flat angles P-C4'-P energy: -36.366 tors. eta vs tors. theta energy: -62.111 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: 174 Temperature: 1.250000 Total energy: -692.552953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.552953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.552953 (E_RNA) where: Base-Base interactions energy: -439.798 where: short stacking energy: -218.265 Base-Backbone interact. energy: -0.558 local terms energy: -252.196225 where: bonds (distance) C4'-P energy: -65.829 bonds (distance) P-C4' energy: -48.043 flat angles C4'-P-C4' energy: -45.749 flat angles P-C4'-P energy: -37.126 tors. eta vs tors. theta energy: -55.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -505.960241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.960241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.960241 (E_RNA) where: Base-Base interactions energy: -306.892 where: short stacking energy: -140.758 Base-Backbone interact. energy: 2.624 local terms energy: -201.691828 where: bonds (distance) C4'-P energy: -46.544 bonds (distance) P-C4' energy: -57.852 flat angles C4'-P-C4' energy: -52.575 flat angles P-C4'-P energy: -30.940 tors. eta vs tors. theta energy: -13.781 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: 174 Temperature: 1.350000 Total energy: -518.374233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.374233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.374233 (E_RNA) where: Base-Base interactions energy: -313.725 where: short stacking energy: -145.545 Base-Backbone interact. energy: -1.021 local terms energy: -203.627974 where: bonds (distance) C4'-P energy: -47.230 bonds (distance) P-C4' energy: -56.862 flat angles C4'-P-C4' energy: -46.342 flat angles P-C4'-P energy: -31.528 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: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1131.592688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.592688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.592688 (E_RNA) where: Base-Base interactions energy: -795.004 where: short stacking energy: -341.159 Base-Backbone interact. energy: -0.458 local terms energy: -336.131053 where: bonds (distance) C4'-P energy: -59.321 bonds (distance) P-C4' energy: -65.121 flat angles C4'-P-C4' energy: -71.470 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -94.734 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: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1089.171561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.171561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.171561 (E_RNA) where: Base-Base interactions energy: -743.760 where: short stacking energy: -333.043 Base-Backbone interact. energy: -1.122 local terms energy: -344.289153 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -60.026 flat angles C4'-P-C4' energy: -73.893 flat angles P-C4'-P energy: -49.041 tors. eta vs tors. theta energy: -101.210 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: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1039.000811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.000811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.000811 (E_RNA) where: Base-Base interactions energy: -711.390 where: short stacking energy: -323.336 Base-Backbone interact. energy: -1.445 local terms energy: -326.165245 where: bonds (distance) C4'-P energy: -68.430 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -41.703 tors. eta vs tors. theta energy: -78.536 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1022.330660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.330660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.330660 (E_RNA) where: Base-Base interactions energy: -698.456 where: short stacking energy: -322.470 Base-Backbone interact. energy: -1.366 local terms energy: -322.508121 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -57.989 flat angles C4'-P-C4' energy: -61.498 flat angles P-C4'-P energy: -45.297 tors. eta vs tors. theta energy: -97.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -945.580413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.580413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.580413 (E_RNA) where: Base-Base interactions energy: -652.087 where: short stacking energy: -298.772 Base-Backbone interact. energy: -1.260 local terms energy: -292.233256 where: bonds (distance) C4'-P energy: -52.366 bonds (distance) P-C4' energy: -51.726 flat angles C4'-P-C4' energy: -66.224 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: -82.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -907.049415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.049415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.049415 (E_RNA) where: Base-Base interactions energy: -628.027 where: short stacking energy: -279.668 Base-Backbone interact. energy: -0.603 local terms energy: -278.419613 where: bonds (distance) C4'-P energy: -54.056 bonds (distance) P-C4' energy: -51.782 flat angles C4'-P-C4' energy: -67.425 flat angles P-C4'-P energy: -35.125 tors. eta vs tors. theta energy: -70.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -770.254568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.254568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.254568 (E_RNA) where: Base-Base interactions energy: -509.996 where: short stacking energy: -247.090 Base-Backbone interact. energy: 2.245 local terms energy: -262.504125 where: bonds (distance) C4'-P energy: -49.110 bonds (distance) P-C4' energy: -56.674 flat angles C4'-P-C4' energy: -59.604 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: -58.963 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: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -697.939931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.939931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.939931 (E_RNA) where: Base-Base interactions energy: -442.729 where: short stacking energy: -219.512 Base-Backbone interact. energy: -0.611 local terms energy: -254.599062 where: bonds (distance) C4'-P energy: -39.396 bonds (distance) P-C4' energy: -65.373 flat angles C4'-P-C4' energy: -70.080 flat angles P-C4'-P energy: -28.381 tors. eta vs tors. theta energy: -51.368 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: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -510.088228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.088228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.088228 (E_RNA) where: Base-Base interactions energy: -296.634 where: short stacking energy: -168.317 Base-Backbone interact. energy: -3.191 local terms energy: -210.263365 where: bonds (distance) C4'-P energy: -46.617 bonds (distance) P-C4' energy: -51.521 flat angles C4'-P-C4' energy: -53.278 flat angles P-C4'-P energy: -25.427 tors. eta vs tors. theta energy: -33.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -520.790783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.790783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.790783 (E_RNA) where: Base-Base interactions energy: -331.572 where: short stacking energy: -143.851 Base-Backbone interact. energy: 1.218 local terms energy: -190.436743 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -42.000 flat angles C4'-P-C4' energy: -49.311 flat angles P-C4'-P energy: -17.415 tors. eta vs tors. theta energy: -19.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1114.005525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.005525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.005525 (E_RNA) where: Base-Base interactions energy: -755.142 where: short stacking energy: -343.573 Base-Backbone interact. energy: 1.074 local terms energy: -359.937602 where: bonds (distance) C4'-P energy: -69.575 bonds (distance) P-C4' energy: -70.696 flat angles C4'-P-C4' energy: -63.789 flat angles P-C4'-P energy: -47.912 tors. eta vs tors. theta energy: -107.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1112.255924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.255924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.255924 (E_RNA) where: Base-Base interactions energy: -768.801 where: short stacking energy: -340.449 Base-Backbone interact. energy: 0.383 local terms energy: -343.837751 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -64.227 flat angles C4'-P-C4' energy: -75.388 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: -98.485 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: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1053.905249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.905249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.905249 (E_RNA) where: Base-Base interactions energy: -717.478 where: short stacking energy: -308.239 Base-Backbone interact. energy: -3.164 local terms energy: -333.263490 where: bonds (distance) C4'-P energy: -62.626 bonds (distance) P-C4' energy: -57.165 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -47.864 tors. eta vs tors. theta energy: -92.627 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: 176 Temperature: 1.050000 Total energy: -1002.604761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.604761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.604761 (E_RNA) where: Base-Base interactions energy: -696.594 where: short stacking energy: -305.154 Base-Backbone interact. energy: -0.545 local terms energy: -305.465883 where: bonds (distance) C4'-P energy: -54.742 bonds (distance) P-C4' energy: -57.676 flat angles C4'-P-C4' energy: -62.704 flat angles P-C4'-P energy: -42.574 tors. eta vs tors. theta energy: -87.769 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: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -923.439774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.439774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.439774 (E_RNA) where: Base-Base interactions energy: -617.905 where: short stacking energy: -271.493 Base-Backbone interact. energy: -1.605 local terms energy: -303.930111 where: bonds (distance) C4'-P energy: -60.926 bonds (distance) P-C4' energy: -66.395 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -39.589 tors. eta vs tors. theta energy: -68.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -929.985747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.985747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.985747 (E_RNA) where: Base-Base interactions energy: -634.506 where: short stacking energy: -281.928 Base-Backbone interact. energy: -0.679 local terms energy: -294.800672 where: bonds (distance) C4'-P energy: -53.107 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -69.649 flat angles P-C4'-P energy: -37.677 tors. eta vs tors. theta energy: -81.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -745.925510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.925510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.925510 (E_RNA) where: Base-Base interactions energy: -472.652 where: short stacking energy: -223.532 Base-Backbone interact. energy: 1.489 local terms energy: -274.762341 where: bonds (distance) C4'-P energy: -52.731 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -64.204 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -54.247 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: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -661.849401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.849401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.849401 (E_RNA) where: Base-Base interactions energy: -430.722 where: short stacking energy: -205.601 Base-Backbone interact. energy: -0.745 local terms energy: -230.382159 where: bonds (distance) C4'-P energy: -49.730 bonds (distance) P-C4' energy: -35.554 flat angles C4'-P-C4' energy: -51.614 flat angles P-C4'-P energy: -37.447 tors. eta vs tors. theta energy: -56.037 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: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -530.735532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.735532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.735532 (E_RNA) where: Base-Base interactions energy: -296.180 where: short stacking energy: -157.044 Base-Backbone interact. energy: -1.176 local terms energy: -233.379444 where: bonds (distance) C4'-P energy: -48.292 bonds (distance) P-C4' energy: -63.709 flat angles C4'-P-C4' energy: -65.226 flat angles P-C4'-P energy: -40.234 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: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -550.499556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.499556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.499556 (E_RNA) where: Base-Base interactions energy: -351.090 where: short stacking energy: -168.834 Base-Backbone interact. energy: 0.988 local terms energy: -200.398101 where: bonds (distance) C4'-P energy: -46.434 bonds (distance) P-C4' energy: -45.476 flat angles C4'-P-C4' energy: -43.487 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: -29.604 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: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1127.252329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.252329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.252329 (E_RNA) where: Base-Base interactions energy: -774.393 where: short stacking energy: -350.457 Base-Backbone interact. energy: -1.025 local terms energy: -351.834413 where: bonds (distance) C4'-P energy: -70.969 bonds (distance) P-C4' energy: -70.726 flat angles C4'-P-C4' energy: -71.847 flat angles P-C4'-P energy: -38.272 tors. eta vs tors. theta energy: -100.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1121.910046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.910046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.910046 (E_RNA) where: Base-Base interactions energy: -784.251 where: short stacking energy: -343.147 Base-Backbone interact. energy: -0.451 local terms energy: -337.207845 where: bonds (distance) C4'-P energy: -60.137 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -68.141 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -100.094 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: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1048.592168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.592168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.592168 (E_RNA) where: Base-Base interactions energy: -709.766 where: short stacking energy: -311.964 Base-Backbone interact. energy: -3.342 local terms energy: -335.483882 where: bonds (distance) C4'-P energy: -57.841 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -95.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1005.797632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.797632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.797632 (E_RNA) where: Base-Base interactions energy: -683.588 where: short stacking energy: -308.915 Base-Backbone interact. energy: -1.034 local terms energy: -321.175888 where: bonds (distance) C4'-P energy: -47.196 bonds (distance) P-C4' energy: -68.684 flat angles C4'-P-C4' energy: -63.654 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -90.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -901.413459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.413459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.413459 (E_RNA) where: Base-Base interactions energy: -605.245 where: short stacking energy: -270.699 Base-Backbone interact. energy: -2.074 local terms energy: -294.094904 where: bonds (distance) C4'-P energy: -49.420 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -71.364 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -73.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -960.550337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.550337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.550337 (E_RNA) where: Base-Base interactions energy: -662.078 where: short stacking energy: -292.248 Base-Backbone interact. energy: -0.699 local terms energy: -297.773954 where: bonds (distance) C4'-P energy: -66.789 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -29.888 tors. eta vs tors. theta energy: -79.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -803.815693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.815693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.815693 (E_RNA) where: Base-Base interactions energy: -544.744 where: short stacking energy: -254.629 Base-Backbone interact. energy: 1.019 local terms energy: -260.090498 where: bonds (distance) C4'-P energy: -49.973 bonds (distance) P-C4' energy: -59.529 flat angles C4'-P-C4' energy: -59.021 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: -57.933 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: 177 Temperature: 1.250000 Total energy: -687.277485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.277485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.277485 (E_RNA) where: Base-Base interactions energy: -430.020 where: short stacking energy: -221.769 Base-Backbone interact. energy: -0.232 local terms energy: -257.024987 where: bonds (distance) C4'-P energy: -48.570 bonds (distance) P-C4' energy: -57.190 flat angles C4'-P-C4' energy: -60.829 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -47.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -546.711272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.711272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.711272 (E_RNA) where: Base-Base interactions energy: -314.414 where: short stacking energy: -155.534 Base-Backbone interact. energy: 0.953 local terms energy: -233.250268 where: bonds (distance) C4'-P energy: -59.209 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -54.712 flat angles P-C4'-P energy: -36.326 tors. eta vs tors. theta energy: -25.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -560.499716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.499716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.499716 (E_RNA) where: Base-Base interactions energy: -334.320 where: short stacking energy: -165.242 Base-Backbone interact. energy: 0.979 local terms energy: -227.158726 where: bonds (distance) C4'-P energy: -47.394 bonds (distance) P-C4' energy: -70.945 flat angles C4'-P-C4' energy: -54.757 flat angles P-C4'-P energy: -31.931 tors. eta vs tors. theta energy: -22.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1133.309827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.309827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.309827 (E_RNA) where: Base-Base interactions energy: -788.770 where: short stacking energy: -343.095 Base-Backbone interact. energy: -0.521 local terms energy: -344.019247 where: bonds (distance) C4'-P energy: -61.641 bonds (distance) P-C4' energy: -65.097 flat angles C4'-P-C4' energy: -73.345 flat angles P-C4'-P energy: -41.482 tors. eta vs tors. theta energy: -102.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1097.451892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.451892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.451892 (E_RNA) where: Base-Base interactions energy: -739.564 where: short stacking energy: -332.829 Base-Backbone interact. energy: -2.139 local terms energy: -355.749153 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -67.545 flat angles C4'-P-C4' energy: -75.425 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: -102.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1055.629083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.629083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.629083 (E_RNA) where: Base-Base interactions energy: -714.460 where: short stacking energy: -304.304 Base-Backbone interact. energy: -0.748 local terms energy: -340.420246 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -69.332 flat angles P-C4'-P energy: -53.047 tors. eta vs tors. theta energy: -89.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1024.421682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.421682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.421682 (E_RNA) where: Base-Base interactions energy: -702.415 where: short stacking energy: -325.716 Base-Backbone interact. energy: 1.463 local terms energy: -323.469124 where: bonds (distance) C4'-P energy: -59.533 bonds (distance) P-C4' energy: -61.471 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -46.009 tors. eta vs tors. theta energy: -90.154 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: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -952.187129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.187129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.187129 (E_RNA) where: Base-Base interactions energy: -640.295 where: short stacking energy: -282.891 Base-Backbone interact. energy: -0.959 local terms energy: -310.933055 where: bonds (distance) C4'-P energy: -65.220 bonds (distance) P-C4' energy: -62.613 flat angles C4'-P-C4' energy: -68.837 flat angles P-C4'-P energy: -40.071 tors. eta vs tors. theta energy: -74.192 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: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -871.233581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.233581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.233581 (E_RNA) where: Base-Base interactions energy: -574.972 where: short stacking energy: -270.182 Base-Backbone interact. energy: -1.512 local terms energy: -294.749095 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -60.310 flat angles C4'-P-C4' energy: -64.267 flat angles P-C4'-P energy: -44.414 tors. eta vs tors. theta energy: -72.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -826.882171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.882171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.882171 (E_RNA) where: Base-Base interactions energy: -550.888 where: short stacking energy: -263.745 Base-Backbone interact. energy: -0.201 local terms energy: -275.792315 where: bonds (distance) C4'-P energy: -51.383 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -71.526 flat angles P-C4'-P energy: -33.128 tors. eta vs tors. theta energy: -60.397 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: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -670.205813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.205813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.205813 (E_RNA) where: Base-Base interactions energy: -421.746 where: short stacking energy: -211.186 Base-Backbone interact. energy: 1.578 local terms energy: -250.037322 where: bonds (distance) C4'-P energy: -49.184 bonds (distance) P-C4' energy: -63.760 flat angles C4'-P-C4' energy: -58.366 flat angles P-C4'-P energy: -40.011 tors. eta vs tors. theta energy: -38.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -534.931859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.931859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.931859 (E_RNA) where: Base-Base interactions energy: -328.198 where: short stacking energy: -163.933 Base-Backbone interact. energy: 1.753 local terms energy: -208.486155 where: bonds (distance) C4'-P energy: -50.692 bonds (distance) P-C4' energy: -53.513 flat angles C4'-P-C4' energy: -56.703 flat angles P-C4'-P energy: -28.817 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: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -541.896096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.896096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.896096 (E_RNA) where: Base-Base interactions energy: -346.533 where: short stacking energy: -168.857 Base-Backbone interact. energy: 1.534 local terms energy: -196.897686 where: bonds (distance) C4'-P energy: -50.761 bonds (distance) P-C4' energy: -43.298 flat angles C4'-P-C4' energy: -51.787 flat angles P-C4'-P energy: -22.267 tors. eta vs tors. theta energy: -28.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1131.843581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.843581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.843581 (E_RNA) where: Base-Base interactions energy: -799.680 where: short stacking energy: -349.550 Base-Backbone interact. energy: -0.791 local terms energy: -331.372928 where: bonds (distance) C4'-P energy: -68.819 bonds (distance) P-C4' energy: -55.324 flat angles C4'-P-C4' energy: -61.231 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -100.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1085.633873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.633873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.633873 (E_RNA) where: Base-Base interactions energy: -732.512 where: short stacking energy: -328.496 Base-Backbone interact. energy: -1.751 local terms energy: -351.370985 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -64.559 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -54.477 tors. eta vs tors. theta energy: -100.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1059.460641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.460641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.460641 (E_RNA) where: Base-Base interactions energy: -727.356 where: short stacking energy: -312.497 Base-Backbone interact. energy: -2.291 local terms energy: -329.813132 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -63.367 flat angles C4'-P-C4' energy: -66.874 flat angles P-C4'-P energy: -45.941 tors. eta vs tors. theta energy: -86.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1003.855842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.855842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.855842 (E_RNA) where: Base-Base interactions energy: -687.333 where: short stacking energy: -313.585 Base-Backbone interact. energy: 2.229 local terms energy: -318.751877 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -54.116 flat angles C4'-P-C4' energy: -70.403 flat angles P-C4'-P energy: -46.694 tors. eta vs tors. theta energy: -92.760 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: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -985.585576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.585576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.585576 (E_RNA) where: Base-Base interactions energy: -669.871 where: short stacking energy: -299.913 Base-Backbone interact. energy: -1.866 local terms energy: -313.848542 where: bonds (distance) C4'-P energy: -54.701 bonds (distance) P-C4' energy: -56.856 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -47.367 tors. eta vs tors. theta energy: -86.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -879.247783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.247783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.247783 (E_RNA) where: Base-Base interactions energy: -597.557 where: short stacking energy: -269.790 Base-Backbone interact. energy: -0.737 local terms energy: -280.954121 where: bonds (distance) C4'-P energy: -53.563 bonds (distance) P-C4' energy: -53.805 flat angles C4'-P-C4' energy: -57.592 flat angles P-C4'-P energy: -48.156 tors. eta vs tors. theta energy: -67.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -821.093927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.093927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.093927 (E_RNA) where: Base-Base interactions energy: -563.523 where: short stacking energy: -242.082 Base-Backbone interact. energy: -0.832 local terms energy: -256.739164 where: bonds (distance) C4'-P energy: -56.409 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -44.648 flat angles P-C4'-P energy: -36.571 tors. eta vs tors. theta energy: -59.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -717.791708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.791708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.791708 (E_RNA) where: Base-Base interactions energy: -454.701 where: short stacking energy: -230.609 Base-Backbone interact. energy: 1.476 local terms energy: -264.566186 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -64.099 flat angles P-C4'-P energy: -30.902 tors. eta vs tors. theta energy: -54.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -528.048318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.048318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.048318 (E_RNA) where: Base-Base interactions energy: -293.433 where: short stacking energy: -134.075 Base-Backbone interact. energy: 0.125 local terms energy: -234.740758 where: bonds (distance) C4'-P energy: -47.446 bonds (distance) P-C4' energy: -51.366 flat angles C4'-P-C4' energy: -60.772 flat angles P-C4'-P energy: -48.160 tors. eta vs tors. theta energy: -26.996 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: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -499.542286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.542286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.542286 (E_RNA) where: Base-Base interactions energy: -296.022 where: short stacking energy: -138.593 Base-Backbone interact. energy: 2.002 local terms energy: -205.522176 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -53.803 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -30.292 tors. eta vs tors. theta energy: -17.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1141.303497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.303497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.303497 (E_RNA) where: Base-Base interactions energy: -788.818 where: short stacking energy: -352.312 Base-Backbone interact. energy: -0.964 local terms energy: -351.521359 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -64.931 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -54.628 tors. eta vs tors. theta energy: -101.145 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: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1100.094288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.094288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.094288 (E_RNA) where: Base-Base interactions energy: -761.214 where: short stacking energy: -341.118 Base-Backbone interact. energy: -2.106 local terms energy: -336.773905 where: bonds (distance) C4'-P energy: -67.361 bonds (distance) P-C4' energy: -59.962 flat angles C4'-P-C4' energy: -68.372 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -96.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1039.779757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.779757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.779757 (E_RNA) where: Base-Base interactions energy: -729.175 where: short stacking energy: -325.727 Base-Backbone interact. energy: 2.087 local terms energy: -312.692123 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -60.860 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -91.428 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: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1038.995654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.995654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.995654 (E_RNA) where: Base-Base interactions energy: -705.394 where: short stacking energy: -322.353 Base-Backbone interact. energy: -2.106 local terms energy: -331.496164 where: bonds (distance) C4'-P energy: -60.956 bonds (distance) P-C4' energy: -56.617 flat angles C4'-P-C4' energy: -73.629 flat angles P-C4'-P energy: -45.305 tors. eta vs tors. theta energy: -94.989 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: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -922.736662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.736662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.736662 (E_RNA) where: Base-Base interactions energy: -614.433 where: short stacking energy: -288.920 Base-Backbone interact. energy: -0.387 local terms energy: -307.916647 where: bonds (distance) C4'-P energy: -58.963 bonds (distance) P-C4' energy: -59.804 flat angles C4'-P-C4' energy: -65.986 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -77.632 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: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -949.874937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.874937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.874937 (E_RNA) where: Base-Base interactions energy: -650.457 where: short stacking energy: -267.671 Base-Backbone interact. energy: -0.960 local terms energy: -298.458150 where: bonds (distance) C4'-P energy: -57.906 bonds (distance) P-C4' energy: -54.610 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -39.802 tors. eta vs tors. theta energy: -78.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -847.997659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.997659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.997659 (E_RNA) where: Base-Base interactions energy: -563.172 where: short stacking energy: -249.307 Base-Backbone interact. energy: -1.736 local terms energy: -283.089600 where: bonds (distance) C4'-P energy: -55.801 bonds (distance) P-C4' energy: -66.296 flat angles C4'-P-C4' energy: -57.486 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: -62.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -672.916147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.916147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.916147 (E_RNA) where: Base-Base interactions energy: -431.724 where: short stacking energy: -209.274 Base-Backbone interact. energy: -0.932 local terms energy: -240.259939 where: bonds (distance) C4'-P energy: -43.919 bonds (distance) P-C4' energy: -55.253 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -46.579 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: 180 Temperature: 1.300000 Total energy: -541.776039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.776039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.776039 (E_RNA) where: Base-Base interactions energy: -320.092 where: short stacking energy: -172.795 Base-Backbone interact. energy: -0.602 local terms energy: -221.082205 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -49.909 flat angles C4'-P-C4' energy: -43.517 flat angles P-C4'-P energy: -32.435 tors. eta vs tors. theta energy: -36.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -543.609933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.609933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.609933 (E_RNA) where: Base-Base interactions energy: -340.324 where: short stacking energy: -156.159 Base-Backbone interact. energy: 0.581 local terms energy: -203.867098 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -57.361 flat angles C4'-P-C4' energy: -40.385 flat angles P-C4'-P energy: -29.297 tors. eta vs tors. theta energy: -25.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1146.561391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.561391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.561391 (E_RNA) where: Base-Base interactions energy: -791.782 where: short stacking energy: -356.419 Base-Backbone interact. energy: -0.673 local terms energy: -354.106178 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -68.096 flat angles C4'-P-C4' energy: -75.564 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -103.066 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: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1055.883380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.883380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.883380 (E_RNA) where: Base-Base interactions energy: -722.347 where: short stacking energy: -317.771 Base-Backbone interact. energy: 0.370 local terms energy: -333.906558 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -65.585 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: -94.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1070.807752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.807752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.807752 (E_RNA) where: Base-Base interactions energy: -728.537 where: short stacking energy: -320.635 Base-Backbone interact. energy: -1.297 local terms energy: -340.973984 where: bonds (distance) C4'-P energy: -67.842 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -44.719 tors. eta vs tors. theta energy: -98.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1035.116191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.116191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.116191 (E_RNA) where: Base-Base interactions energy: -711.807 where: short stacking energy: -311.456 Base-Backbone interact. energy: -0.911 local terms energy: -322.397532 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -54.086 flat angles C4'-P-C4' energy: -67.034 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -98.580 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: 5, replica: 1 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -959.432625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.432625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.432625 (E_RNA) where: Base-Base interactions energy: -659.476 where: short stacking energy: -303.605 Base-Backbone interact. energy: 0.068 local terms energy: -300.024575 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -55.222 flat angles C4'-P-C4' energy: -70.189 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -76.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -928.512171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.512171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.512171 (E_RNA) where: Base-Base interactions energy: -631.384 where: short stacking energy: -288.927 Base-Backbone interact. energy: -2.390 local terms energy: -294.737945 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -58.254 flat angles C4'-P-C4' energy: -57.831 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -78.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -820.041690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.041690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.041690 (E_RNA) where: Base-Base interactions energy: -571.855 where: short stacking energy: -274.277 Base-Backbone interact. energy: -0.038 local terms energy: -248.148791 where: bonds (distance) C4'-P energy: -36.127 bonds (distance) P-C4' energy: -58.870 flat angles C4'-P-C4' energy: -52.116 flat angles P-C4'-P energy: -32.808 tors. eta vs tors. theta energy: -68.227 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: 181 Temperature: 1.250000 Total energy: -682.144860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.144860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.144860 (E_RNA) where: Base-Base interactions energy: -443.290 where: short stacking energy: -212.219 Base-Backbone interact. energy: -1.168 local terms energy: -237.686491 where: bonds (distance) C4'-P energy: -57.209 bonds (distance) P-C4' energy: -40.854 flat angles C4'-P-C4' energy: -65.105 flat angles P-C4'-P energy: -31.478 tors. eta vs tors. theta energy: -43.040 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -532.627224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.627224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.627224 (E_RNA) where: Base-Base interactions energy: -324.982 where: short stacking energy: -161.537 Base-Backbone interact. energy: 2.690 local terms energy: -210.334713 where: bonds (distance) C4'-P energy: -45.525 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -44.955 flat angles P-C4'-P energy: -29.366 tors. eta vs tors. theta energy: -32.334 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: 181 Temperature: 1.350000 Total energy: -588.309457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.309457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.309457 (E_RNA) where: Base-Base interactions energy: -381.867 where: short stacking energy: -196.671 Base-Backbone interact. energy: 1.306 local terms energy: -207.748452 where: bonds (distance) C4'-P energy: -48.837 bonds (distance) P-C4' energy: -51.176 flat angles C4'-P-C4' energy: -46.074 flat angles P-C4'-P energy: -31.535 tors. eta vs tors. theta energy: -30.126 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: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1126.031585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.031585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.031585 (E_RNA) where: Base-Base interactions energy: -796.666 where: short stacking energy: -337.327 Base-Backbone interact. energy: 3.475 local terms energy: -332.840310 where: bonds (distance) C4'-P energy: -61.496 bonds (distance) P-C4' energy: -64.588 flat angles C4'-P-C4' energy: -71.289 flat angles P-C4'-P energy: -37.031 tors. eta vs tors. theta energy: -98.437 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: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1073.925546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.925546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.925546 (E_RNA) where: Base-Base interactions energy: -745.942 where: short stacking energy: -335.367 Base-Backbone interact. energy: -1.254 local terms energy: -326.729529 where: bonds (distance) C4'-P energy: -55.500 bonds (distance) P-C4' energy: -55.590 flat angles C4'-P-C4' energy: -65.235 flat angles P-C4'-P energy: -52.038 tors. eta vs tors. theta energy: -98.366 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: 182 Temperature: 1.000000 Total energy: -1071.339929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.339929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.339929 (E_RNA) where: Base-Base interactions energy: -747.412 where: short stacking energy: -330.560 Base-Backbone interact. energy: -2.207 local terms energy: -321.720567 where: bonds (distance) C4'-P energy: -50.852 bonds (distance) P-C4' energy: -60.060 flat angles C4'-P-C4' energy: -69.544 flat angles P-C4'-P energy: -54.932 tors. eta vs tors. theta energy: -86.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1034.679538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.679538 (E_RNA) where: Base-Base interactions energy: -716.556 where: short stacking energy: -330.935 Base-Backbone interact. energy: -1.391 local terms energy: -316.732414 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -58.075 flat angles C4'-P-C4' energy: -67.292 flat angles P-C4'-P energy: -46.433 tors. eta vs tors. theta energy: -88.368 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: 182 Temperature: 1.100000 Total energy: -977.019466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.019466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.019466 (E_RNA) where: Base-Base interactions energy: -678.551 where: short stacking energy: -286.481 Base-Backbone interact. energy: -0.938 local terms energy: -297.529920 where: bonds (distance) C4'-P energy: -65.660 bonds (distance) P-C4' energy: -56.155 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -34.722 tors. eta vs tors. theta energy: -70.641 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: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -925.621671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.621671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.621671 (E_RNA) where: Base-Base interactions energy: -641.926 where: short stacking energy: -281.220 Base-Backbone interact. energy: -1.824 local terms energy: -281.871701 where: bonds (distance) C4'-P energy: -48.775 bonds (distance) P-C4' energy: -47.246 flat angles C4'-P-C4' energy: -65.020 flat angles P-C4'-P energy: -37.418 tors. eta vs tors. theta energy: -83.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -817.920447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.920447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.920447 (E_RNA) where: Base-Base interactions energy: -557.356 where: short stacking energy: -252.647 Base-Backbone interact. energy: -1.069 local terms energy: -259.496043 where: bonds (distance) C4'-P energy: -59.469 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -49.123 flat angles P-C4'-P energy: -23.770 tors. eta vs tors. theta energy: -64.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -692.457945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.457945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.457945 (E_RNA) where: Base-Base interactions energy: -450.935 where: short stacking energy: -207.658 Base-Backbone interact. energy: -1.421 local terms energy: -240.102395 where: bonds (distance) C4'-P energy: -47.621 bonds (distance) P-C4' energy: -62.153 flat angles C4'-P-C4' energy: -51.449 flat angles P-C4'-P energy: -33.116 tors. eta vs tors. theta energy: -45.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -544.253233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.253233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.253233 (E_RNA) where: Base-Base interactions energy: -332.323 where: short stacking energy: -173.934 Base-Backbone interact. energy: 3.504 local terms energy: -215.434283 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -47.967 flat angles C4'-P-C4' energy: -51.062 flat angles P-C4'-P energy: -31.671 tors. eta vs tors. theta energy: -31.400 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: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -556.569187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.569187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.569187 (E_RNA) where: Base-Base interactions energy: -360.621 where: short stacking energy: -154.292 Base-Backbone interact. energy: 1.818 local terms energy: -197.766981 where: bonds (distance) C4'-P energy: -47.759 bonds (distance) P-C4' energy: -48.135 flat angles C4'-P-C4' energy: -41.567 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -23.368 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: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1136.936841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.936841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.936841 (E_RNA) where: Base-Base interactions energy: -784.452 where: short stacking energy: -345.781 Base-Backbone interact. energy: -1.583 local terms energy: -350.901949 where: bonds (distance) C4'-P energy: -68.852 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -72.322 flat angles P-C4'-P energy: -40.485 tors. eta vs tors. theta energy: -101.457 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: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1101.310641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.310641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.310641 (E_RNA) where: Base-Base interactions energy: -760.754 where: short stacking energy: -326.753 Base-Backbone interact. energy: -1.679 local terms energy: -338.878432 where: bonds (distance) C4'-P energy: -50.793 bonds (distance) P-C4' energy: -75.220 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -44.244 tors. eta vs tors. theta energy: -92.529 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: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1054.301890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.301890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.301890 (E_RNA) where: Base-Base interactions energy: -729.188 where: short stacking energy: -332.572 Base-Backbone interact. energy: -0.845 local terms energy: -324.269592 where: bonds (distance) C4'-P energy: -45.355 bonds (distance) P-C4' energy: -72.430 flat angles C4'-P-C4' energy: -70.281 flat angles P-C4'-P energy: -33.788 tors. eta vs tors. theta energy: -102.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1035.069459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.069459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.069459 (E_RNA) where: Base-Base interactions energy: -699.795 where: short stacking energy: -310.371 Base-Backbone interact. energy: -0.986 local terms energy: -334.288158 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -65.320 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -47.813 tors. eta vs tors. theta energy: -94.034 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: 183 Temperature: 1.100000 Total energy: -951.332529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.332529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.332529 (E_RNA) where: Base-Base interactions energy: -657.290 where: short stacking energy: -290.628 Base-Backbone interact. energy: -2.149 local terms energy: -291.892964 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -53.874 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -74.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -905.056750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.056750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.056750 (E_RNA) where: Base-Base interactions energy: -618.562 where: short stacking energy: -258.896 Base-Backbone interact. energy: -0.380 local terms energy: -286.115016 where: bonds (distance) C4'-P energy: -44.736 bonds (distance) P-C4' energy: -64.540 flat angles C4'-P-C4' energy: -64.865 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -72.827 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: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -791.432028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.432028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.432028 (E_RNA) where: Base-Base interactions energy: -533.150 where: short stacking energy: -234.839 Base-Backbone interact. energy: 3.535 local terms energy: -261.817397 where: bonds (distance) C4'-P energy: -54.694 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -54.995 flat angles P-C4'-P energy: -28.058 tors. eta vs tors. theta energy: -56.410 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: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -698.540960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.540960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.540960 (E_RNA) where: Base-Base interactions energy: -439.032 where: short stacking energy: -200.323 Base-Backbone interact. energy: 0.714 local terms energy: -260.222974 where: bonds (distance) C4'-P energy: -52.360 bonds (distance) P-C4' energy: -44.361 flat angles C4'-P-C4' energy: -61.383 flat angles P-C4'-P energy: -52.656 tors. eta vs tors. theta energy: -49.462 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: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -512.986775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.986775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.986775 (E_RNA) where: Base-Base interactions energy: -296.645 where: short stacking energy: -160.963 Base-Backbone interact. energy: -0.908 local terms energy: -215.433133 where: bonds (distance) C4'-P energy: -50.031 bonds (distance) P-C4' energy: -61.001 flat angles C4'-P-C4' energy: -49.880 flat angles P-C4'-P energy: -28.782 tors. eta vs tors. theta energy: -25.740 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -527.041316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.041316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.041316 (E_RNA) where: Base-Base interactions energy: -316.906 where: short stacking energy: -143.329 Base-Backbone interact. energy: -0.214 local terms energy: -209.921669 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -43.965 flat angles C4'-P-C4' energy: -51.662 flat angles P-C4'-P energy: -33.273 tors. eta vs tors. theta energy: -26.384 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: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1129.203607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.203607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.203607 (E_RNA) where: Base-Base interactions energy: -788.711 where: short stacking energy: -355.383 Base-Backbone interact. energy: -1.254 local terms energy: -339.238822 where: bonds (distance) C4'-P energy: -59.079 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -70.693 flat angles P-C4'-P energy: -47.775 tors. eta vs tors. theta energy: -99.239 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: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1108.924444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.924444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.924444 (E_RNA) where: Base-Base interactions energy: -769.845 where: short stacking energy: -339.719 Base-Backbone interact. energy: 3.145 local terms energy: -342.224798 where: bonds (distance) C4'-P energy: -70.502 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -67.224 flat angles P-C4'-P energy: -45.359 tors. eta vs tors. theta energy: -90.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1072.463577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.463577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.463577 (E_RNA) where: Base-Base interactions energy: -735.349 where: short stacking energy: -338.001 Base-Backbone interact. energy: -2.296 local terms energy: -334.818848 where: bonds (distance) C4'-P energy: -55.280 bonds (distance) P-C4' energy: -58.024 flat angles C4'-P-C4' energy: -72.604 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -101.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1038.347440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.347440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.347440 (E_RNA) where: Base-Base interactions energy: -719.703 where: short stacking energy: -323.813 Base-Backbone interact. energy: -0.646 local terms energy: -317.998233 where: bonds (distance) C4'-P energy: -58.070 bonds (distance) P-C4' energy: -57.141 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -35.915 tors. eta vs tors. theta energy: -100.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -935.393321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.393321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.393321 (E_RNA) where: Base-Base interactions energy: -636.941 where: short stacking energy: -295.660 Base-Backbone interact. energy: 1.461 local terms energy: -299.912772 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -66.593 flat angles C4'-P-C4' energy: -56.051 flat angles P-C4'-P energy: -33.354 tors. eta vs tors. theta energy: -79.127 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: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -944.543091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.543091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.543091 (E_RNA) where: Base-Base interactions energy: -678.591 where: short stacking energy: -277.984 Base-Backbone interact. energy: 1.641 local terms energy: -267.593748 where: bonds (distance) C4'-P energy: -58.647 bonds (distance) P-C4' energy: -54.327 flat angles C4'-P-C4' energy: -55.502 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -62.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -803.837668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.837668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.837668 (E_RNA) where: Base-Base interactions energy: -536.510 where: short stacking energy: -238.500 Base-Backbone interact. energy: -0.596 local terms energy: -266.731716 where: bonds (distance) C4'-P energy: -51.708 bonds (distance) P-C4' energy: -63.309 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -29.112 tors. eta vs tors. theta energy: -61.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -662.178547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.178547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.178547 (E_RNA) where: Base-Base interactions energy: -418.046 where: short stacking energy: -209.642 Base-Backbone interact. energy: -0.616 local terms energy: -243.516470 where: bonds (distance) C4'-P energy: -49.561 bonds (distance) P-C4' energy: -50.293 flat angles C4'-P-C4' energy: -62.136 flat angles P-C4'-P energy: -42.258 tors. eta vs tors. theta energy: -39.267 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: 184 Temperature: 1.300000 Total energy: -622.617755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.617755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.617755 (E_RNA) where: Base-Base interactions energy: -401.762 where: short stacking energy: -173.685 Base-Backbone interact. energy: -2.519 local terms energy: -218.336009 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -46.209 flat angles C4'-P-C4' energy: -49.368 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -32.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -511.404793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.404793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.404793 (E_RNA) where: Base-Base interactions energy: -311.071 where: short stacking energy: -161.211 Base-Backbone interact. energy: 1.360 local terms energy: -201.693436 where: bonds (distance) C4'-P energy: -43.362 bonds (distance) P-C4' energy: -57.523 flat angles C4'-P-C4' energy: -50.351 flat angles P-C4'-P energy: -34.068 tors. eta vs tors. theta energy: -16.388 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: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1145.570922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.570922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.570922 (E_RNA) where: Base-Base interactions energy: -801.393 where: short stacking energy: -353.347 Base-Backbone interact. energy: -1.518 local terms energy: -342.659576 where: bonds (distance) C4'-P energy: -63.495 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -102.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1125.496877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.496877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.496877 (E_RNA) where: Base-Base interactions energy: -792.837 where: short stacking energy: -347.983 Base-Backbone interact. energy: -0.905 local terms energy: -331.755100 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -62.425 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -50.077 tors. eta vs tors. theta energy: -94.117 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: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1060.529992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.529992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.529992 (E_RNA) where: Base-Base interactions energy: -708.761 where: short stacking energy: -327.165 Base-Backbone interact. energy: -1.383 local terms energy: -350.385197 where: bonds (distance) C4'-P energy: -64.230 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -74.320 flat angles P-C4'-P energy: -51.289 tors. eta vs tors. theta energy: -99.175 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: 185 Temperature: 1.050000 Total energy: -1022.934476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.934476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.934476 (E_RNA) where: Base-Base interactions energy: -705.904 where: short stacking energy: -289.619 Base-Backbone interact. energy: 0.811 local terms energy: -317.841107 where: bonds (distance) C4'-P energy: -59.683 bonds (distance) P-C4' energy: -66.872 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -41.397 tors. eta vs tors. theta energy: -86.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -976.503126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.503126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.503126 (E_RNA) where: Base-Base interactions energy: -669.864 where: short stacking energy: -319.042 Base-Backbone interact. energy: -0.185 local terms energy: -306.454613 where: bonds (distance) C4'-P energy: -45.925 bonds (distance) P-C4' energy: -56.786 flat angles C4'-P-C4' energy: -72.890 flat angles P-C4'-P energy: -40.522 tors. eta vs tors. theta energy: -90.331 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: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -908.629855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.629855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.629855 (E_RNA) where: Base-Base interactions energy: -627.448 where: short stacking energy: -268.031 Base-Backbone interact. energy: -0.747 local terms energy: -280.434305 where: bonds (distance) C4'-P energy: -44.739 bonds (distance) P-C4' energy: -56.124 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: -72.463 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: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -817.670801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.670801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.670801 (E_RNA) where: Base-Base interactions energy: -555.318 where: short stacking energy: -249.376 Base-Backbone interact. energy: 1.359 local terms energy: -263.711176 where: bonds (distance) C4'-P energy: -60.420 bonds (distance) P-C4' energy: -46.691 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -38.188 tors. eta vs tors. theta energy: -56.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -658.076811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.076811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.076811 (E_RNA) where: Base-Base interactions energy: -401.216 where: short stacking energy: -200.898 Base-Backbone interact. energy: 3.423 local terms energy: -260.284430 where: bonds (distance) C4'-P energy: -60.114 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -58.784 flat angles P-C4'-P energy: -38.330 tors. eta vs tors. theta energy: -43.855 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: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -641.518761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.518761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.518761 (E_RNA) where: Base-Base interactions energy: -404.092 where: short stacking energy: -182.663 Base-Backbone interact. energy: -2.120 local terms energy: -235.307031 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -52.948 flat angles C4'-P-C4' energy: -51.396 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: -32.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -522.439945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.439945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.439945 (E_RNA) where: Base-Base interactions energy: -324.666 where: short stacking energy: -148.434 Base-Backbone interact. energy: -2.045 local terms energy: -195.728757 where: bonds (distance) C4'-P energy: -42.537 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -47.330 flat angles P-C4'-P energy: -28.527 tors. eta vs tors. theta energy: -17.652 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: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1140.957443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.957443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.957443 (E_RNA) where: Base-Base interactions energy: -774.007 where: short stacking energy: -342.242 Base-Backbone interact. energy: -1.470 local terms energy: -365.480160 where: bonds (distance) C4'-P energy: -65.366 bonds (distance) P-C4' energy: -70.969 flat angles C4'-P-C4' energy: -75.386 flat angles P-C4'-P energy: -52.388 tors. eta vs tors. theta energy: -101.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1115.980667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.980667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.980667 (E_RNA) where: Base-Base interactions energy: -780.608 where: short stacking energy: -336.145 Base-Backbone interact. energy: -1.240 local terms energy: -334.132896 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -68.293 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -42.917 tors. eta vs tors. theta energy: -88.236 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: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1063.251877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.251877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.251877 (E_RNA) where: Base-Base interactions energy: -735.803 where: short stacking energy: -318.112 Base-Backbone interact. energy: -1.150 local terms energy: -326.298063 where: bonds (distance) C4'-P energy: -61.125 bonds (distance) P-C4' energy: -63.656 flat angles C4'-P-C4' energy: -65.451 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: -86.814 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: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1035.325447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.325447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.325447 (E_RNA) where: Base-Base interactions energy: -720.172 where: short stacking energy: -321.614 Base-Backbone interact. energy: -1.215 local terms energy: -313.938889 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -53.246 flat angles C4'-P-C4' energy: -62.199 flat angles P-C4'-P energy: -46.294 tors. eta vs tors. theta energy: -93.693 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: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -983.734235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.734235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.734235 (E_RNA) where: Base-Base interactions energy: -659.010 where: short stacking energy: -314.334 Base-Backbone interact. energy: -0.962 local terms energy: -323.761942 where: bonds (distance) C4'-P energy: -52.236 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -69.365 flat angles P-C4'-P energy: -53.574 tors. eta vs tors. theta energy: -85.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -928.809886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.809886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.809886 (E_RNA) where: Base-Base interactions energy: -630.834 where: short stacking energy: -287.668 Base-Backbone interact. energy: -1.013 local terms energy: -296.962345 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -65.809 flat angles P-C4'-P energy: -34.649 tors. eta vs tors. theta energy: -69.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -827.122833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.122833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.122833 (E_RNA) where: Base-Base interactions energy: -564.523 where: short stacking energy: -271.468 Base-Backbone interact. energy: 1.757 local terms energy: -264.356416 where: bonds (distance) C4'-P energy: -47.587 bonds (distance) P-C4' energy: -55.048 flat angles C4'-P-C4' energy: -52.244 flat angles P-C4'-P energy: -36.959 tors. eta vs tors. theta energy: -72.519 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: 186 Temperature: 1.250000 Total energy: -756.994741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.994741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.994741 (E_RNA) where: Base-Base interactions energy: -536.054 where: short stacking energy: -237.173 Base-Backbone interact. energy: 0.317 local terms energy: -221.257729 where: bonds (distance) C4'-P energy: -48.717 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -43.431 flat angles P-C4'-P energy: -30.653 tors. eta vs tors. theta energy: -44.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -553.973090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.973090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.973090 (E_RNA) where: Base-Base interactions energy: -348.520 where: short stacking energy: -161.321 Base-Backbone interact. energy: 2.743 local terms energy: -208.195990 where: bonds (distance) C4'-P energy: -42.039 bonds (distance) P-C4' energy: -70.507 flat angles C4'-P-C4' energy: -42.187 flat angles P-C4'-P energy: -34.157 tors. eta vs tors. theta energy: -19.306 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: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -614.229058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.229058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.229058 (E_RNA) where: Base-Base interactions energy: -401.055 where: short stacking energy: -164.653 Base-Backbone interact. energy: -1.312 local terms energy: -211.861921 where: bonds (distance) C4'-P energy: -44.938 bonds (distance) P-C4' energy: -54.009 flat angles C4'-P-C4' energy: -61.957 flat angles P-C4'-P energy: -26.833 tors. eta vs tors. theta energy: -24.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1125.343817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.343817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.343817 (E_RNA) where: Base-Base interactions energy: -795.102 where: short stacking energy: -341.771 Base-Backbone interact. energy: -1.407 local terms energy: -328.834778 where: bonds (distance) C4'-P energy: -61.905 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -72.186 flat angles P-C4'-P energy: -37.528 tors. eta vs tors. theta energy: -93.215 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: 187 Temperature: 0.950000 Total energy: -1124.323971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.323971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.323971 (E_RNA) where: Base-Base interactions energy: -798.964 where: short stacking energy: -346.832 Base-Backbone interact. energy: -1.068 local terms energy: -324.291603 where: bonds (distance) C4'-P energy: -65.374 bonds (distance) P-C4' energy: -53.473 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -42.019 tors. eta vs tors. theta energy: -93.328 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: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1061.311060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.311060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.311060 (E_RNA) where: Base-Base interactions energy: -748.915 where: short stacking energy: -320.060 Base-Backbone interact. energy: -1.366 local terms energy: -311.030271 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -55.548 flat angles C4'-P-C4' energy: -64.220 flat angles P-C4'-P energy: -40.520 tors. eta vs tors. theta energy: -86.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1024.308010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.308010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.308010 (E_RNA) where: Base-Base interactions energy: -703.010 where: short stacking energy: -324.110 Base-Backbone interact. energy: 0.655 local terms energy: -321.953542 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -63.271 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -90.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -974.592708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.592708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.592708 (E_RNA) where: Base-Base interactions energy: -664.297 where: short stacking energy: -305.332 Base-Backbone interact. energy: -0.095 local terms energy: -310.199806 where: bonds (distance) C4'-P energy: -60.292 bonds (distance) P-C4' energy: -58.715 flat angles C4'-P-C4' energy: -68.265 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -81.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -923.280579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.280579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.280579 (E_RNA) where: Base-Base interactions energy: -623.678 where: short stacking energy: -268.869 Base-Backbone interact. energy: -1.724 local terms energy: -297.878169 where: bonds (distance) C4'-P energy: -50.027 bonds (distance) P-C4' energy: -61.339 flat angles C4'-P-C4' energy: -65.749 flat angles P-C4'-P energy: -43.257 tors. eta vs tors. theta energy: -77.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -786.763194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.763194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.763194 (E_RNA) where: Base-Base interactions energy: -531.514 where: short stacking energy: -245.567 Base-Backbone interact. energy: 0.385 local terms energy: -255.633745 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -63.308 flat angles C4'-P-C4' energy: -60.697 flat angles P-C4'-P energy: -29.099 tors. eta vs tors. theta energy: -53.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -757.742838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.742838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.742838 (E_RNA) where: Base-Base interactions energy: -488.158 where: short stacking energy: -219.693 Base-Backbone interact. energy: -0.712 local terms energy: -268.872360 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -59.567 flat angles C4'-P-C4' energy: -59.567 flat angles P-C4'-P energy: -25.470 tors. eta vs tors. theta energy: -62.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -590.797163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.797163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.797163 (E_RNA) where: Base-Base interactions energy: -378.713 where: short stacking energy: -185.781 Base-Backbone interact. energy: -1.403 local terms energy: -210.680566 where: bonds (distance) C4'-P energy: -47.694 bonds (distance) P-C4' energy: -50.094 flat angles C4'-P-C4' energy: -52.064 flat angles P-C4'-P energy: -38.615 tors. eta vs tors. theta energy: -22.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -647.325217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.325217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.325217 (E_RNA) where: Base-Base interactions energy: -430.481 where: short stacking energy: -185.440 Base-Backbone interact. energy: -0.915 local terms energy: -215.929376 where: bonds (distance) C4'-P energy: -39.982 bonds (distance) P-C4' energy: -56.759 flat angles C4'-P-C4' energy: -57.209 flat angles P-C4'-P energy: -28.420 tors. eta vs tors. theta energy: -33.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1137.473088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.473088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.473088 (E_RNA) where: Base-Base interactions energy: -787.321 where: short stacking energy: -346.357 Base-Backbone interact. energy: -2.050 local terms energy: -348.101889 where: bonds (distance) C4'-P energy: -62.057 bonds (distance) P-C4' energy: -64.570 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -94.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1118.545122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.545122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.545122 (E_RNA) where: Base-Base interactions energy: -778.333 where: short stacking energy: -347.094 Base-Backbone interact. energy: -1.555 local terms energy: -338.657318 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -70.156 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -40.673 tors. eta vs tors. theta energy: -95.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1059.535232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.535232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.535232 (E_RNA) where: Base-Base interactions energy: -728.886 where: short stacking energy: -330.441 Base-Backbone interact. energy: -2.719 local terms energy: -327.930886 where: bonds (distance) C4'-P energy: -55.140 bonds (distance) P-C4' energy: -65.800 flat angles C4'-P-C4' energy: -74.791 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -82.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1022.302679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.302679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.302679 (E_RNA) where: Base-Base interactions energy: -709.747 where: short stacking energy: -325.525 Base-Backbone interact. energy: 0.518 local terms energy: -313.073759 where: bonds (distance) C4'-P energy: -56.501 bonds (distance) P-C4' energy: -61.653 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -31.816 tors. eta vs tors. theta energy: -94.661 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: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -937.385655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.385655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.385655 (E_RNA) where: Base-Base interactions energy: -650.624 where: short stacking energy: -293.162 Base-Backbone interact. energy: 0.864 local terms energy: -287.624844 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -30.315 tors. eta vs tors. theta energy: -76.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -932.622963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.622963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.622963 (E_RNA) where: Base-Base interactions energy: -635.838 where: short stacking energy: -274.098 Base-Backbone interact. energy: -0.928 local terms energy: -295.856999 where: bonds (distance) C4'-P energy: -56.112 bonds (distance) P-C4' energy: -53.980 flat angles C4'-P-C4' energy: -62.913 flat angles P-C4'-P energy: -40.692 tors. eta vs tors. theta energy: -82.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -774.454743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.454743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.454743 (E_RNA) where: Base-Base interactions energy: -508.234 where: short stacking energy: -237.104 Base-Backbone interact. energy: 1.426 local terms energy: -267.646252 where: bonds (distance) C4'-P energy: -58.966 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -56.549 flat angles P-C4'-P energy: -37.380 tors. eta vs tors. theta energy: -51.809 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: 188 Temperature: 1.250000 Total energy: -805.114240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.114240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.114240 (E_RNA) where: Base-Base interactions energy: -540.562 where: short stacking energy: -246.089 Base-Backbone interact. energy: -1.735 local terms energy: -262.817531 where: bonds (distance) C4'-P energy: -53.606 bonds (distance) P-C4' energy: -54.769 flat angles C4'-P-C4' energy: -58.993 flat angles P-C4'-P energy: -28.819 tors. eta vs tors. theta energy: -66.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -701.086825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.086825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.086825 (E_RNA) where: Base-Base interactions energy: -473.967 where: short stacking energy: -209.104 Base-Backbone interact. energy: -0.386 local terms energy: -226.733389 where: bonds (distance) C4'-P energy: -58.104 bonds (distance) P-C4' energy: -53.817 flat angles C4'-P-C4' energy: -57.427 flat angles P-C4'-P energy: -27.068 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: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -591.364058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.364058 (E_RNA) where: Base-Base interactions energy: -366.855 where: short stacking energy: -188.003 Base-Backbone interact. energy: 1.547 local terms energy: -226.056537 where: bonds (distance) C4'-P energy: -42.039 bonds (distance) P-C4' energy: -51.915 flat angles C4'-P-C4' energy: -54.344 flat angles P-C4'-P energy: -37.549 tors. eta vs tors. theta energy: -40.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1137.407640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.407640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.407640 (E_RNA) where: Base-Base interactions energy: -778.865 where: short stacking energy: -345.047 Base-Backbone interact. energy: -2.067 local terms energy: -356.476007 where: bonds (distance) C4'-P energy: -64.662 bonds (distance) P-C4' energy: -55.755 flat angles C4'-P-C4' energy: -81.879 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -95.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1137.578513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.578513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.578513 (E_RNA) where: Base-Base interactions energy: -790.995 where: short stacking energy: -357.564 Base-Backbone interact. energy: -1.735 local terms energy: -344.848515 where: bonds (distance) C4'-P energy: -59.645 bonds (distance) P-C4' energy: -66.922 flat angles C4'-P-C4' energy: -67.937 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -101.529 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: 189 Temperature: 1.000000 Total energy: -1056.773744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.773744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.773744 (E_RNA) where: Base-Base interactions energy: -712.350 where: short stacking energy: -326.630 Base-Backbone interact. energy: -1.301 local terms energy: -343.122968 where: bonds (distance) C4'-P energy: -65.913 bonds (distance) P-C4' energy: -60.697 flat angles C4'-P-C4' energy: -73.868 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -94.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1029.810264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.810264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.810264 (E_RNA) where: Base-Base interactions energy: -692.531 where: short stacking energy: -321.155 Base-Backbone interact. energy: 0.744 local terms energy: -338.023427 where: bonds (distance) C4'-P energy: -58.590 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -66.752 flat angles P-C4'-P energy: -48.125 tors. eta vs tors. theta energy: -99.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -976.358926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.358926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.358926 (E_RNA) where: Base-Base interactions energy: -658.935 where: short stacking energy: -292.541 Base-Backbone interact. energy: -2.013 local terms energy: -315.410807 where: bonds (distance) C4'-P energy: -65.037 bonds (distance) P-C4' energy: -64.463 flat angles C4'-P-C4' energy: -65.236 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -76.281 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: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -887.620235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.620235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.620235 (E_RNA) where: Base-Base interactions energy: -594.631 where: short stacking energy: -269.319 Base-Backbone interact. energy: -0.283 local terms energy: -292.705905 where: bonds (distance) C4'-P energy: -56.077 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -64.436 flat angles P-C4'-P energy: -43.494 tors. eta vs tors. theta energy: -68.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -763.726221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.726221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.726221 (E_RNA) where: Base-Base interactions energy: -507.186 where: short stacking energy: -246.938 Base-Backbone interact. energy: -0.222 local terms energy: -256.317875 where: bonds (distance) C4'-P energy: -58.037 bonds (distance) P-C4' energy: -53.047 flat angles C4'-P-C4' energy: -56.475 flat angles P-C4'-P energy: -36.766 tors. eta vs tors. theta energy: -51.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -821.087790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.087790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.087790 (E_RNA) where: Base-Base interactions energy: -531.401 where: short stacking energy: -244.783 Base-Backbone interact. energy: -1.743 local terms energy: -287.943965 where: bonds (distance) C4'-P energy: -64.189 bonds (distance) P-C4' energy: -50.340 flat angles C4'-P-C4' energy: -60.393 flat angles P-C4'-P energy: -36.369 tors. eta vs tors. theta energy: -76.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -661.323122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.323122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.323122 (E_RNA) where: Base-Base interactions energy: -434.728 where: short stacking energy: -188.930 Base-Backbone interact. energy: -1.237 local terms energy: -225.358102 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -59.617 flat angles C4'-P-C4' energy: -35.104 flat angles P-C4'-P energy: -37.390 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: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -546.077996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.077996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.077996 (E_RNA) where: Base-Base interactions energy: -356.425 where: short stacking energy: -173.786 Base-Backbone interact. energy: -0.656 local terms energy: -188.997172 where: bonds (distance) C4'-P energy: -50.487 bonds (distance) P-C4' energy: -42.878 flat angles C4'-P-C4' energy: -52.386 flat angles P-C4'-P energy: -20.678 tors. eta vs tors. theta energy: -22.568 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1135.405434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.405434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.405434 (E_RNA) where: Base-Base interactions energy: -789.888 where: short stacking energy: -352.300 Base-Backbone interact. energy: -2.200 local terms energy: -343.318079 where: bonds (distance) C4'-P energy: -65.707 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -75.253 flat angles P-C4'-P energy: -41.287 tors. eta vs tors. theta energy: -96.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1125.920869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.920869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.920869 (E_RNA) where: Base-Base interactions energy: -785.036 where: short stacking energy: -346.862 Base-Backbone interact. energy: -0.344 local terms energy: -340.541204 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -59.502 flat angles C4'-P-C4' energy: -70.759 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: -102.058 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: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1058.317393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.317393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.317393 (E_RNA) where: Base-Base interactions energy: -709.173 where: short stacking energy: -324.891 Base-Backbone interact. energy: -0.629 local terms energy: -348.514992 where: bonds (distance) C4'-P energy: -63.936 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -74.409 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -99.118 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: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1044.560915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.560915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.560915 (E_RNA) where: Base-Base interactions energy: -705.310 where: short stacking energy: -313.999 Base-Backbone interact. energy: 1.043 local terms energy: -340.294430 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -64.860 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -93.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -901.589305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.589305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.589305 (E_RNA) where: Base-Base interactions energy: -622.067 where: short stacking energy: -266.821 Base-Backbone interact. energy: -0.696 local terms energy: -278.826101 where: bonds (distance) C4'-P energy: -54.676 bonds (distance) P-C4' energy: -55.569 flat angles C4'-P-C4' energy: -71.476 flat angles P-C4'-P energy: -28.898 tors. eta vs tors. theta energy: -68.207 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: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -911.330840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.330840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.330840 (E_RNA) where: Base-Base interactions energy: -622.762 where: short stacking energy: -269.524 Base-Backbone interact. energy: -0.542 local terms energy: -288.026790 where: bonds (distance) C4'-P energy: -65.771 bonds (distance) P-C4' energy: -49.090 flat angles C4'-P-C4' energy: -61.838 flat angles P-C4'-P energy: -40.639 tors. eta vs tors. theta energy: -70.688 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: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -777.293589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.293589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.293589 (E_RNA) where: Base-Base interactions energy: -519.445 where: short stacking energy: -234.682 Base-Backbone interact. energy: -0.172 local terms energy: -257.676321 where: bonds (distance) C4'-P energy: -50.421 bonds (distance) P-C4' energy: -55.430 flat angles C4'-P-C4' energy: -62.423 flat angles P-C4'-P energy: -29.677 tors. eta vs tors. theta energy: -59.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -823.157265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.157265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.157265 (E_RNA) where: Base-Base interactions energy: -566.088 where: short stacking energy: -244.275 Base-Backbone interact. energy: -1.060 local terms energy: -256.010243 where: bonds (distance) C4'-P energy: -38.805 bonds (distance) P-C4' energy: -47.889 flat angles C4'-P-C4' energy: -61.757 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -67.472 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: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -620.943466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.943466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.943466 (E_RNA) where: Base-Base interactions energy: -398.416 where: short stacking energy: -175.293 Base-Backbone interact. energy: -0.473 local terms energy: -222.055147 where: bonds (distance) C4'-P energy: -46.529 bonds (distance) P-C4' energy: -55.371 flat angles C4'-P-C4' energy: -56.681 flat angles P-C4'-P energy: -32.552 tors. eta vs tors. theta energy: -30.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -546.022957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.022957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.022957 (E_RNA) where: Base-Base interactions energy: -328.819 where: short stacking energy: -158.202 Base-Backbone interact. energy: -0.654 local terms energy: -216.550587 where: bonds (distance) C4'-P energy: -55.849 bonds (distance) P-C4' energy: -49.931 flat angles C4'-P-C4' energy: -44.497 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -28.705 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: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1126.840698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.840698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.840698 (E_RNA) where: Base-Base interactions energy: -769.393 where: short stacking energy: -334.703 Base-Backbone interact. energy: -2.371 local terms energy: -355.076628 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -92.230 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: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1127.414453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.414453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.414453 (E_RNA) where: Base-Base interactions energy: -780.087 where: short stacking energy: -341.154 Base-Backbone interact. energy: -2.034 local terms energy: -345.293413 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -39.220 tors. eta vs tors. theta energy: -104.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1069.748602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.748602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.748602 (E_RNA) where: Base-Base interactions energy: -733.397 where: short stacking energy: -312.207 Base-Backbone interact. energy: -2.245 local terms energy: -334.106649 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -69.152 flat angles C4'-P-C4' energy: -71.988 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: -93.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1060.849044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.849044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.849044 (E_RNA) where: Base-Base interactions energy: -725.120 where: short stacking energy: -327.242 Base-Backbone interact. energy: -0.464 local terms energy: -335.264731 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -74.364 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -88.603 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: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -937.396076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.396076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.396076 (E_RNA) where: Base-Base interactions energy: -639.473 where: short stacking energy: -289.693 Base-Backbone interact. energy: -0.002 local terms energy: -297.920851 where: bonds (distance) C4'-P energy: -39.175 bonds (distance) P-C4' energy: -61.238 flat angles C4'-P-C4' energy: -67.194 flat angles P-C4'-P energy: -45.430 tors. eta vs tors. theta energy: -84.883 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -911.557104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.557104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.557104 (E_RNA) where: Base-Base interactions energy: -624.490 where: short stacking energy: -271.136 Base-Backbone interact. energy: -1.529 local terms energy: -285.537566 where: bonds (distance) C4'-P energy: -47.444 bonds (distance) P-C4' energy: -57.454 flat angles C4'-P-C4' energy: -68.325 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -66.511 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: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -786.714177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.714177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.714177 (E_RNA) where: Base-Base interactions energy: -534.205 where: short stacking energy: -255.100 Base-Backbone interact. energy: -0.637 local terms energy: -251.872525 where: bonds (distance) C4'-P energy: -42.172 bonds (distance) P-C4' energy: -57.833 flat angles C4'-P-C4' energy: -51.123 flat angles P-C4'-P energy: -39.764 tors. eta vs tors. theta energy: -60.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -817.464087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.464087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.464087 (E_RNA) where: Base-Base interactions energy: -532.966 where: short stacking energy: -253.667 Base-Backbone interact. energy: -0.687 local terms energy: -283.811655 where: bonds (distance) C4'-P energy: -47.604 bonds (distance) P-C4' energy: -60.409 flat angles C4'-P-C4' energy: -63.891 flat angles P-C4'-P energy: -40.568 tors. eta vs tors. theta energy: -71.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -620.142779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.142779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.142779 (E_RNA) where: Base-Base interactions energy: -388.346 where: short stacking energy: -195.113 Base-Backbone interact. energy: -1.560 local terms energy: -230.236802 where: bonds (distance) C4'-P energy: -53.950 bonds (distance) P-C4' energy: -64.673 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -20.046 tors. eta vs tors. theta energy: -33.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -537.071588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.071588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.071588 (E_RNA) where: Base-Base interactions energy: -331.609 where: short stacking energy: -148.187 Base-Backbone interact. energy: 2.929 local terms energy: -208.391722 where: bonds (distance) C4'-P energy: -39.633 bonds (distance) P-C4' energy: -50.700 flat angles C4'-P-C4' energy: -47.622 flat angles P-C4'-P energy: -37.899 tors. eta vs tors. theta energy: -32.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1124.567537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.567537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.567537 (E_RNA) where: Base-Base interactions energy: -765.902 where: short stacking energy: -326.772 Base-Backbone interact. energy: -3.516 local terms energy: -355.149701 where: bonds (distance) C4'-P energy: -70.454 bonds (distance) P-C4' energy: -72.107 flat angles C4'-P-C4' energy: -68.268 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -100.162 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: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1095.069613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.069613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.069613 (E_RNA) where: Base-Base interactions energy: -748.405 where: short stacking energy: -348.101 Base-Backbone interact. energy: -0.510 local terms energy: -346.154884 where: bonds (distance) C4'-P energy: -58.843 bonds (distance) P-C4' energy: -67.126 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -45.273 tors. eta vs tors. theta energy: -102.128 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: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1061.518275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.518275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.518275 (E_RNA) where: Base-Base interactions energy: -733.925 where: short stacking energy: -326.633 Base-Backbone interact. energy: -0.876 local terms energy: -326.717712 where: bonds (distance) C4'-P energy: -65.176 bonds (distance) P-C4' energy: -55.183 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -40.491 tors. eta vs tors. theta energy: -93.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1054.110340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.110340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.110340 (E_RNA) where: Base-Base interactions energy: -742.140 where: short stacking energy: -340.275 Base-Backbone interact. energy: -1.986 local terms energy: -309.984157 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -56.053 flat angles C4'-P-C4' energy: -66.147 flat angles P-C4'-P energy: -36.982 tors. eta vs tors. theta energy: -94.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -937.353470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.353470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.353470 (E_RNA) where: Base-Base interactions energy: -653.974 where: short stacking energy: -302.181 Base-Backbone interact. energy: -1.165 local terms energy: -282.214491 where: bonds (distance) C4'-P energy: -53.195 bonds (distance) P-C4' energy: -44.621 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -42.713 tors. eta vs tors. theta energy: -79.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -908.199618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.199618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.199618 (E_RNA) where: Base-Base interactions energy: -637.913 where: short stacking energy: -275.514 Base-Backbone interact. energy: 1.989 local terms energy: -272.275879 where: bonds (distance) C4'-P energy: -49.962 bonds (distance) P-C4' energy: -61.225 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -34.866 tors. eta vs tors. theta energy: -62.327 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: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -803.023089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.023089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.023089 (E_RNA) where: Base-Base interactions energy: -531.969 where: short stacking energy: -254.187 Base-Backbone interact. energy: -0.661 local terms energy: -270.392664 where: bonds (distance) C4'-P energy: -52.943 bonds (distance) P-C4' energy: -51.399 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -62.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -737.777474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.777474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.777474 (E_RNA) where: Base-Base interactions energy: -498.484 where: short stacking energy: -243.602 Base-Backbone interact. energy: -0.359 local terms energy: -238.934727 where: bonds (distance) C4'-P energy: -40.218 bonds (distance) P-C4' energy: -51.675 flat angles C4'-P-C4' energy: -47.694 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -50.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -645.734447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.734447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.734447 (E_RNA) where: Base-Base interactions energy: -419.388 where: short stacking energy: -190.223 Base-Backbone interact. energy: -0.904 local terms energy: -225.442556 where: bonds (distance) C4'-P energy: -43.511 bonds (distance) P-C4' energy: -58.890 flat angles C4'-P-C4' energy: -57.270 flat angles P-C4'-P energy: -27.237 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: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -537.592195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.592195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.592195 (E_RNA) where: Base-Base interactions energy: -315.923 where: short stacking energy: -158.455 Base-Backbone interact. energy: -2.176 local terms energy: -219.493119 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -51.070 flat angles C4'-P-C4' energy: -55.920 flat angles P-C4'-P energy: -39.462 tors. eta vs tors. theta energy: -16.593 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: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1125.297762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.297762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.297762 (E_RNA) where: Base-Base interactions energy: -775.950 where: short stacking energy: -331.554 Base-Backbone interact. energy: -1.260 local terms energy: -348.087682 where: bonds (distance) C4'-P energy: -63.783 bonds (distance) P-C4' energy: -68.086 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -98.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1105.935638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.935638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.935638 (E_RNA) where: Base-Base interactions energy: -763.112 where: short stacking energy: -331.226 Base-Backbone interact. energy: -1.299 local terms energy: -341.525287 where: bonds (distance) C4'-P energy: -54.749 bonds (distance) P-C4' energy: -68.932 flat angles C4'-P-C4' energy: -75.571 flat angles P-C4'-P energy: -43.671 tors. eta vs tors. theta energy: -98.603 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: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1057.040784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.040784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.040784 (E_RNA) where: Base-Base interactions energy: -731.485 where: short stacking energy: -330.446 Base-Backbone interact. energy: -0.053 local terms energy: -325.503410 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -64.407 flat angles C4'-P-C4' energy: -60.449 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -90.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1061.257470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.257470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.257470 (E_RNA) where: Base-Base interactions energy: -748.510 where: short stacking energy: -345.391 Base-Backbone interact. energy: -0.562 local terms energy: -312.184767 where: bonds (distance) C4'-P energy: -48.306 bonds (distance) P-C4' energy: -51.503 flat angles C4'-P-C4' energy: -70.573 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -94.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -952.237504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.237504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.237504 (E_RNA) where: Base-Base interactions energy: -647.601 where: short stacking energy: -295.742 Base-Backbone interact. energy: -1.739 local terms energy: -302.897127 where: bonds (distance) C4'-P energy: -45.539 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -69.509 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -78.553 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: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -903.859030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.859030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.859030 (E_RNA) where: Base-Base interactions energy: -639.077 where: short stacking energy: -281.445 Base-Backbone interact. energy: -1.013 local terms energy: -263.769010 where: bonds (distance) C4'-P energy: -54.686 bonds (distance) P-C4' energy: -46.240 flat angles C4'-P-C4' energy: -55.227 flat angles P-C4'-P energy: -43.102 tors. eta vs tors. theta energy: -64.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -800.199862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.199862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.199862 (E_RNA) where: Base-Base interactions energy: -536.134 where: short stacking energy: -254.343 Base-Backbone interact. energy: -0.544 local terms energy: -263.522166 where: bonds (distance) C4'-P energy: -47.460 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -57.323 flat angles P-C4'-P energy: -27.408 tors. eta vs tors. theta energy: -66.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -715.937927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.937927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.937927 (E_RNA) where: Base-Base interactions energy: -464.157 where: short stacking energy: -215.324 Base-Backbone interact. energy: -0.616 local terms energy: -251.164205 where: bonds (distance) C4'-P energy: -61.180 bonds (distance) P-C4' energy: -57.644 flat angles C4'-P-C4' energy: -50.212 flat angles P-C4'-P energy: -42.597 tors. eta vs tors. theta energy: -39.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -628.963373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.963373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.963373 (E_RNA) where: Base-Base interactions energy: -409.361 where: short stacking energy: -183.275 Base-Backbone interact. energy: 0.275 local terms energy: -219.877021 where: bonds (distance) C4'-P energy: -44.203 bonds (distance) P-C4' energy: -60.466 flat angles C4'-P-C4' energy: -48.198 flat angles P-C4'-P energy: -30.375 tors. eta vs tors. theta energy: -36.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -577.934336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.934336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.934336 (E_RNA) where: Base-Base interactions energy: -365.010 where: short stacking energy: -172.920 Base-Backbone interact. energy: 1.150 local terms energy: -214.074155 where: bonds (distance) C4'-P energy: -40.631 bonds (distance) P-C4' energy: -49.016 flat angles C4'-P-C4' energy: -54.621 flat angles P-C4'-P energy: -29.487 tors. eta vs tors. theta energy: -40.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1117.861673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.861673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.861673 (E_RNA) where: Base-Base interactions energy: -765.095 where: short stacking energy: -339.795 Base-Backbone interact. energy: -1.849 local terms energy: -350.917686 where: bonds (distance) C4'-P energy: -66.611 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -72.892 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -98.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1099.585331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.585331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.585331 (E_RNA) where: Base-Base interactions energy: -758.579 where: short stacking energy: -341.800 Base-Backbone interact. energy: -2.758 local terms energy: -338.248708 where: bonds (distance) C4'-P energy: -62.571 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -73.711 flat angles P-C4'-P energy: -44.309 tors. eta vs tors. theta energy: -96.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1071.564660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.564660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.564660 (E_RNA) where: Base-Base interactions energy: -726.846 where: short stacking energy: -323.923 Base-Backbone interact. energy: -1.603 local terms energy: -343.115823 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -73.541 flat angles C4'-P-C4' energy: -62.400 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -95.055 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: 194 Temperature: 1.050000 Total energy: -1035.909488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.909488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.909488 (E_RNA) where: Base-Base interactions energy: -709.256 where: short stacking energy: -330.385 Base-Backbone interact. energy: -0.963 local terms energy: -325.690073 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -61.525 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -89.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -956.025127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.025127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.025127 (E_RNA) where: Base-Base interactions energy: -665.458 where: short stacking energy: -276.829 Base-Backbone interact. energy: -0.965 local terms energy: -289.601889 where: bonds (distance) C4'-P energy: -50.347 bonds (distance) P-C4' energy: -63.397 flat angles C4'-P-C4' energy: -56.679 flat angles P-C4'-P energy: -40.785 tors. eta vs tors. theta energy: -78.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -929.913099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.913099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.913099 (E_RNA) where: Base-Base interactions energy: -639.664 where: short stacking energy: -267.688 Base-Backbone interact. energy: -1.504 local terms energy: -288.745645 where: bonds (distance) C4'-P energy: -58.658 bonds (distance) P-C4' energy: -62.411 flat angles C4'-P-C4' energy: -63.671 flat angles P-C4'-P energy: -38.415 tors. eta vs tors. theta energy: -65.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -770.398499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.398499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.398499 (E_RNA) where: Base-Base interactions energy: -510.261 where: short stacking energy: -231.260 Base-Backbone interact. energy: -1.453 local terms energy: -258.684740 where: bonds (distance) C4'-P energy: -49.911 bonds (distance) P-C4' energy: -54.412 flat angles C4'-P-C4' energy: -62.959 flat angles P-C4'-P energy: -32.002 tors. eta vs tors. theta energy: -59.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -739.718628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.718628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.718628 (E_RNA) where: Base-Base interactions energy: -477.805 where: short stacking energy: -224.588 Base-Backbone interact. energy: -0.645 local terms energy: -261.268830 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -67.231 flat angles C4'-P-C4' energy: -42.942 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -47.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -629.232347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.232347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.232347 (E_RNA) where: Base-Base interactions energy: -419.625 where: short stacking energy: -178.753 Base-Backbone interact. energy: 0.672 local terms energy: -210.278915 where: bonds (distance) C4'-P energy: -51.048 bonds (distance) P-C4' energy: -47.082 flat angles C4'-P-C4' energy: -47.542 flat angles P-C4'-P energy: -29.410 tors. eta vs tors. theta energy: -35.197 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: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -534.791301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.791301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.791301 (E_RNA) where: Base-Base interactions energy: -324.623 where: short stacking energy: -156.469 Base-Backbone interact. energy: -1.069 local terms energy: -209.099373 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -43.606 flat angles C4'-P-C4' energy: -55.934 flat angles P-C4'-P energy: -31.856 tors. eta vs tors. theta energy: -23.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1130.461267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.461267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.461267 (E_RNA) where: Base-Base interactions energy: -793.917 where: short stacking energy: -359.437 Base-Backbone interact. energy: -0.884 local terms energy: -335.660352 where: bonds (distance) C4'-P energy: -56.446 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -99.119 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: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1084.169184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.169184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.169184 (E_RNA) where: Base-Base interactions energy: -759.716 where: short stacking energy: -332.125 Base-Backbone interact. energy: 0.606 local terms energy: -325.059072 where: bonds (distance) C4'-P energy: -53.786 bonds (distance) P-C4' energy: -57.675 flat angles C4'-P-C4' energy: -71.476 flat angles P-C4'-P energy: -40.052 tors. eta vs tors. theta energy: -102.069 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: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1089.004833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.004833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.004833 (E_RNA) where: Base-Base interactions energy: -770.416 where: short stacking energy: -326.497 Base-Backbone interact. energy: -2.435 local terms energy: -316.154718 where: bonds (distance) C4'-P energy: -52.086 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: -96.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1028.026859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.026859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.026859 (E_RNA) where: Base-Base interactions energy: -699.433 where: short stacking energy: -326.120 Base-Backbone interact. energy: -0.738 local terms energy: -327.856207 where: bonds (distance) C4'-P energy: -65.965 bonds (distance) P-C4' energy: -51.915 flat angles C4'-P-C4' energy: -68.918 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -88.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -981.860625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.860625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.860625 (E_RNA) where: Base-Base interactions energy: -671.248 where: short stacking energy: -302.762 Base-Backbone interact. energy: 0.589 local terms energy: -311.201572 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -57.217 flat angles C4'-P-C4' energy: -68.318 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: -75.494 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: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -911.622336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.622336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.622336 (E_RNA) where: Base-Base interactions energy: -636.319 where: short stacking energy: -256.631 Base-Backbone interact. energy: 2.290 local terms energy: -277.593486 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -54.784 flat angles C4'-P-C4' energy: -66.329 flat angles P-C4'-P energy: -29.686 tors. eta vs tors. theta energy: -68.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -791.683356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.683356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.683356 (E_RNA) where: Base-Base interactions energy: -523.743 where: short stacking energy: -252.697 Base-Backbone interact. energy: -0.553 local terms energy: -267.386884 where: bonds (distance) C4'-P energy: -48.506 bonds (distance) P-C4' energy: -59.208 flat angles C4'-P-C4' energy: -58.807 flat angles P-C4'-P energy: -32.979 tors. eta vs tors. theta energy: -67.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -761.147499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.147499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.147499 (E_RNA) where: Base-Base interactions energy: -498.388 where: short stacking energy: -221.583 Base-Backbone interact. energy: 0.379 local terms energy: -263.138025 where: bonds (distance) C4'-P energy: -50.448 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -61.443 flat angles P-C4'-P energy: -30.915 tors. eta vs tors. theta energy: -56.360 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: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -622.956665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.956665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.956665 (E_RNA) where: Base-Base interactions energy: -413.033 where: short stacking energy: -179.254 Base-Backbone interact. energy: 2.315 local terms energy: -212.238175 where: bonds (distance) C4'-P energy: -51.886 bonds (distance) P-C4' energy: -59.187 flat angles C4'-P-C4' energy: -49.329 flat angles P-C4'-P energy: -19.815 tors. eta vs tors. theta energy: -32.022 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: 195 Temperature: 1.350000 Total energy: -563.209666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.209666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.209666 (E_RNA) where: Base-Base interactions energy: -348.567 where: short stacking energy: -157.529 Base-Backbone interact. energy: 0.307 local terms energy: -214.949343 where: bonds (distance) C4'-P energy: -46.443 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -55.694 flat angles P-C4'-P energy: -31.770 tors. eta vs tors. theta energy: -21.064 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: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1125.403896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.403896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.403896 (E_RNA) where: Base-Base interactions energy: -791.456 where: short stacking energy: -349.546 Base-Backbone interact. energy: 0.144 local terms energy: -334.092074 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -57.862 flat angles C4'-P-C4' energy: -78.675 flat angles P-C4'-P energy: -40.808 tors. eta vs tors. theta energy: -95.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1096.938977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.938977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.938977 (E_RNA) where: Base-Base interactions energy: -739.149 where: short stacking energy: -346.974 Base-Backbone interact. energy: -0.147 local terms energy: -357.643108 where: bonds (distance) C4'-P energy: -66.288 bonds (distance) P-C4' energy: -66.664 flat angles C4'-P-C4' energy: -73.820 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -101.734 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: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1095.994062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.994062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.994062 (E_RNA) where: Base-Base interactions energy: -746.035 where: short stacking energy: -329.329 Base-Backbone interact. energy: -0.507 local terms energy: -349.451611 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -63.590 flat angles C4'-P-C4' energy: -68.128 flat angles P-C4'-P energy: -45.397 tors. eta vs tors. theta energy: -97.166 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: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1032.294317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.294317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.294317 (E_RNA) where: Base-Base interactions energy: -708.772 where: short stacking energy: -325.864 Base-Backbone interact. energy: -0.975 local terms energy: -322.547286 where: bonds (distance) C4'-P energy: -53.728 bonds (distance) P-C4' energy: -58.238 flat angles C4'-P-C4' energy: -67.484 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -95.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -939.055350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.055350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.055350 (E_RNA) where: Base-Base interactions energy: -654.078 where: short stacking energy: -298.596 Base-Backbone interact. energy: 0.333 local terms energy: -285.310304 where: bonds (distance) C4'-P energy: -53.800 bonds (distance) P-C4' energy: -55.978 flat angles C4'-P-C4' energy: -61.495 flat angles P-C4'-P energy: -38.696 tors. eta vs tors. theta energy: -75.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -942.933364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.933364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.933364 (E_RNA) where: Base-Base interactions energy: -638.336 where: short stacking energy: -283.020 Base-Backbone interact. energy: -2.873 local terms energy: -301.723695 where: bonds (distance) C4'-P energy: -55.306 bonds (distance) P-C4' energy: -66.672 flat angles C4'-P-C4' energy: -65.545 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: -75.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -771.031165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.031165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.031165 (E_RNA) where: Base-Base interactions energy: -510.916 where: short stacking energy: -229.435 Base-Backbone interact. energy: -0.506 local terms energy: -259.608663 where: bonds (distance) C4'-P energy: -58.947 bonds (distance) P-C4' energy: -52.896 flat angles C4'-P-C4' energy: -54.666 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -54.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -704.213860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.213860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.213860 (E_RNA) where: Base-Base interactions energy: -462.322 where: short stacking energy: -210.598 Base-Backbone interact. energy: -0.914 local terms energy: -240.977810 where: bonds (distance) C4'-P energy: -51.886 bonds (distance) P-C4' energy: -45.987 flat angles C4'-P-C4' energy: -52.168 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -47.209 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: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -620.179696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.179696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.179696 (E_RNA) where: Base-Base interactions energy: -411.625 where: short stacking energy: -173.209 Base-Backbone interact. energy: -0.951 local terms energy: -207.603349 where: bonds (distance) C4'-P energy: -44.315 bonds (distance) P-C4' energy: -60.816 flat angles C4'-P-C4' energy: -54.197 flat angles P-C4'-P energy: -26.144 tors. eta vs tors. theta energy: -22.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -545.598918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.598918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.598918 (E_RNA) where: Base-Base interactions energy: -321.165 where: short stacking energy: -143.460 Base-Backbone interact. energy: -0.208 local terms energy: -224.226705 where: bonds (distance) C4'-P energy: -58.570 bonds (distance) P-C4' energy: -57.841 flat angles C4'-P-C4' energy: -49.634 flat angles P-C4'-P energy: -38.697 tors. eta vs tors. theta energy: -19.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1127.704360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.704360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.704360 (E_RNA) where: Base-Base interactions energy: -785.291 where: short stacking energy: -353.310 Base-Backbone interact. energy: -1.789 local terms energy: -340.624518 where: bonds (distance) C4'-P energy: -62.018 bonds (distance) P-C4' energy: -57.627 flat angles C4'-P-C4' energy: -68.261 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -99.749 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: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1093.381964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.381964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.381964 (E_RNA) where: Base-Base interactions energy: -745.088 where: short stacking energy: -340.145 Base-Backbone interact. energy: 1.184 local terms energy: -349.478096 where: bonds (distance) C4'-P energy: -65.896 bonds (distance) P-C4' energy: -63.819 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -52.366 tors. eta vs tors. theta energy: -94.586 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: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1105.642173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.642173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.642173 (E_RNA) where: Base-Base interactions energy: -760.371 where: short stacking energy: -338.861 Base-Backbone interact. energy: -1.506 local terms energy: -343.765209 where: bonds (distance) C4'-P energy: -52.893 bonds (distance) P-C4' energy: -69.224 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -49.169 tors. eta vs tors. theta energy: -94.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1020.911238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.911238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.911238 (E_RNA) where: Base-Base interactions energy: -698.836 where: short stacking energy: -316.928 Base-Backbone interact. energy: -0.712 local terms energy: -321.363022 where: bonds (distance) C4'-P energy: -55.243 bonds (distance) P-C4' energy: -66.503 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -40.288 tors. eta vs tors. theta energy: -85.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -935.884656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.884656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.884656 (E_RNA) where: Base-Base interactions energy: -648.296 where: short stacking energy: -276.617 Base-Backbone interact. energy: -0.001 local terms energy: -287.586822 where: bonds (distance) C4'-P energy: -47.634 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -66.660 flat angles P-C4'-P energy: -49.376 tors. eta vs tors. theta energy: -65.950 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: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -933.525178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.525178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.525178 (E_RNA) where: Base-Base interactions energy: -644.373 where: short stacking energy: -289.526 Base-Backbone interact. energy: -1.185 local terms energy: -287.967027 where: bonds (distance) C4'-P energy: -46.392 bonds (distance) P-C4' energy: -58.010 flat angles C4'-P-C4' energy: -70.284 flat angles P-C4'-P energy: -33.740 tors. eta vs tors. theta energy: -79.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -759.512079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.512079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.512079 (E_RNA) where: Base-Base interactions energy: -496.330 where: short stacking energy: -234.848 Base-Backbone interact. energy: -0.728 local terms energy: -262.453725 where: bonds (distance) C4'-P energy: -48.705 bonds (distance) P-C4' energy: -52.406 flat angles C4'-P-C4' energy: -65.214 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: -61.659 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -693.447350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.447350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.447350 (E_RNA) where: Base-Base interactions energy: -449.134 where: short stacking energy: -201.808 Base-Backbone interact. energy: -0.617 local terms energy: -243.696877 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -55.320 flat angles C4'-P-C4' energy: -55.536 flat angles P-C4'-P energy: -35.977 tors. eta vs tors. theta energy: -43.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -603.201220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.201220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.201220 (E_RNA) where: Base-Base interactions energy: -382.403 where: short stacking energy: -166.454 Base-Backbone interact. energy: -1.832 local terms energy: -218.966153 where: bonds (distance) C4'-P energy: -51.644 bonds (distance) P-C4' energy: -44.069 flat angles C4'-P-C4' energy: -55.408 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -30.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -532.352090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.352090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.352090 (E_RNA) where: Base-Base interactions energy: -328.031 where: short stacking energy: -168.050 Base-Backbone interact. energy: -0.371 local terms energy: -203.950698 where: bonds (distance) C4'-P energy: -39.862 bonds (distance) P-C4' energy: -56.958 flat angles C4'-P-C4' energy: -59.219 flat angles P-C4'-P energy: -23.771 tors. eta vs tors. theta energy: -24.141 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: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1137.123628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.123628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.123628 (E_RNA) where: Base-Base interactions energy: -790.779 where: short stacking energy: -337.455 Base-Backbone interact. energy: -1.738 local terms energy: -344.606916 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -56.708 flat angles C4'-P-C4' energy: -77.517 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -96.456 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: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1105.397406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.397406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.397406 (E_RNA) where: Base-Base interactions energy: -753.246 where: short stacking energy: -361.799 Base-Backbone interact. energy: -0.760 local terms energy: -351.391069 where: bonds (distance) C4'-P energy: -47.788 bonds (distance) P-C4' energy: -75.237 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -49.852 tors. eta vs tors. theta energy: -102.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1092.749456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.749456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.749456 (E_RNA) where: Base-Base interactions energy: -770.387 where: short stacking energy: -328.751 Base-Backbone interact. energy: -2.203 local terms energy: -320.160121 where: bonds (distance) C4'-P energy: -56.670 bonds (distance) P-C4' energy: -57.766 flat angles C4'-P-C4' energy: -69.267 flat angles P-C4'-P energy: -40.724 tors. eta vs tors. theta energy: -95.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1043.666123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.666123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.666123 (E_RNA) where: Base-Base interactions energy: -731.102 where: short stacking energy: -339.114 Base-Backbone interact. energy: -0.164 local terms energy: -312.400024 where: bonds (distance) C4'-P energy: -53.683 bonds (distance) P-C4' energy: -62.843 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -88.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -940.556022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.556022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.556022 (E_RNA) where: Base-Base interactions energy: -648.290 where: short stacking energy: -287.884 Base-Backbone interact. energy: 3.262 local terms energy: -295.528097 where: bonds (distance) C4'-P energy: -55.330 bonds (distance) P-C4' energy: -64.126 flat angles C4'-P-C4' energy: -58.976 flat angles P-C4'-P energy: -43.205 tors. eta vs tors. theta energy: -73.891 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: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -944.984546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.984546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.984546 (E_RNA) where: Base-Base interactions energy: -642.853 where: short stacking energy: -283.757 Base-Backbone interact. energy: 0.791 local terms energy: -302.922690 where: bonds (distance) C4'-P energy: -53.427 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -64.284 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -82.492 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: 198 Temperature: 1.200000 Total energy: -763.021461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.021461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.021461 (E_RNA) where: Base-Base interactions energy: -506.599 where: short stacking energy: -238.805 Base-Backbone interact. energy: -1.327 local terms energy: -255.095737 where: bonds (distance) C4'-P energy: -49.872 bonds (distance) P-C4' energy: -53.670 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -27.055 tors. eta vs tors. theta energy: -63.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -730.674121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.674121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.674121 (E_RNA) where: Base-Base interactions energy: -490.138 where: short stacking energy: -207.118 Base-Backbone interact. energy: 0.006 local terms energy: -240.541300 where: bonds (distance) C4'-P energy: -60.547 bonds (distance) P-C4' energy: -54.781 flat angles C4'-P-C4' energy: -49.616 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: -36.355 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: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -565.403755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.403755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.403755 (E_RNA) where: Base-Base interactions energy: -344.168 where: short stacking energy: -179.980 Base-Backbone interact. energy: -0.283 local terms energy: -220.953352 where: bonds (distance) C4'-P energy: -44.684 bonds (distance) P-C4' energy: -60.466 flat angles C4'-P-C4' energy: -53.949 flat angles P-C4'-P energy: -27.513 tors. eta vs tors. theta energy: -34.341 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: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -610.438143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.438143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.438143 (E_RNA) where: Base-Base interactions energy: -375.596 where: short stacking energy: -165.434 Base-Backbone interact. energy: 0.794 local terms energy: -235.636469 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -59.892 flat angles P-C4'-P energy: -26.284 tors. eta vs tors. theta energy: -28.151 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: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1121.063969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.063969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.063969 (E_RNA) where: Base-Base interactions energy: -777.426 where: short stacking energy: -352.845 Base-Backbone interact. energy: 1.575 local terms energy: -345.213193 where: bonds (distance) C4'-P energy: -57.501 bonds (distance) P-C4' energy: -60.708 flat angles C4'-P-C4' energy: -75.425 flat angles P-C4'-P energy: -51.833 tors. eta vs tors. theta energy: -99.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1094.596599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.596599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.596599 (E_RNA) where: Base-Base interactions energy: -746.947 where: short stacking energy: -361.408 Base-Backbone interact. energy: -0.486 local terms energy: -347.163490 where: bonds (distance) C4'-P energy: -62.474 bonds (distance) P-C4' energy: -64.825 flat angles C4'-P-C4' energy: -71.490 flat angles P-C4'-P energy: -46.188 tors. eta vs tors. theta energy: -102.186 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: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1061.356402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.356402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.356402 (E_RNA) where: Base-Base interactions energy: -738.390 where: short stacking energy: -310.261 Base-Backbone interact. energy: -1.896 local terms energy: -321.070257 where: bonds (distance) C4'-P energy: -65.384 bonds (distance) P-C4' energy: -53.323 flat angles C4'-P-C4' energy: -61.618 flat angles P-C4'-P energy: -50.872 tors. eta vs tors. theta energy: -89.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1058.442466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.442466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.442466 (E_RNA) where: Base-Base interactions energy: -741.467 where: short stacking energy: -337.592 Base-Backbone interact. energy: -1.142 local terms energy: -315.833467 where: bonds (distance) C4'-P energy: -60.199 bonds (distance) P-C4' energy: -51.264 flat angles C4'-P-C4' energy: -63.072 flat angles P-C4'-P energy: -43.688 tors. eta vs tors. theta energy: -97.610 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: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -938.686495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.686495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.686495 (E_RNA) where: Base-Base interactions energy: -647.004 where: short stacking energy: -286.064 Base-Backbone interact. energy: -2.182 local terms energy: -289.500378 where: bonds (distance) C4'-P energy: -55.138 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -65.602 flat angles P-C4'-P energy: -38.523 tors. eta vs tors. theta energy: -62.512 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: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -902.312647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.312647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.312647 (E_RNA) where: Base-Base interactions energy: -611.748 where: short stacking energy: -271.480 Base-Backbone interact. energy: 1.177 local terms energy: -291.742143 where: bonds (distance) C4'-P energy: -51.270 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -65.672 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -65.715 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: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -781.720903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.720903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.720903 (E_RNA) where: Base-Base interactions energy: -505.435 where: short stacking energy: -241.489 Base-Backbone interact. energy: -0.175 local terms energy: -276.110409 where: bonds (distance) C4'-P energy: -51.223 bonds (distance) P-C4' energy: -55.577 flat angles C4'-P-C4' energy: -61.757 flat angles P-C4'-P energy: -40.146 tors. eta vs tors. theta energy: -67.408 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: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -721.440828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.440828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.440828 (E_RNA) where: Base-Base interactions energy: -482.076 where: short stacking energy: -211.112 Base-Backbone interact. energy: 0.249 local terms energy: -239.613088 where: bonds (distance) C4'-P energy: -51.429 bonds (distance) P-C4' energy: -58.396 flat angles C4'-P-C4' energy: -52.619 flat angles P-C4'-P energy: -30.954 tors. eta vs tors. theta energy: -46.214 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: 199 Temperature: 1.300000 Total energy: -622.778550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.778550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.778550 (E_RNA) where: Base-Base interactions energy: -404.984 where: short stacking energy: -208.117 Base-Backbone interact. energy: -2.880 local terms energy: -214.914569 where: bonds (distance) C4'-P energy: -35.812 bonds (distance) P-C4' energy: -40.641 flat angles C4'-P-C4' energy: -55.457 flat angles P-C4'-P energy: -32.095 tors. eta vs tors. theta energy: -50.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -603.276846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.276846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.276846 (E_RNA) where: Base-Base interactions energy: -384.484 where: short stacking energy: -162.886 Base-Backbone interact. energy: -0.800 local terms energy: -217.993291 where: bonds (distance) C4'-P energy: -53.105 bonds (distance) P-C4' energy: -72.053 flat angles C4'-P-C4' energy: -48.555 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: -13.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1120.958834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.958834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.958834 (E_RNA) where: Base-Base interactions energy: -786.447 where: short stacking energy: -356.465 Base-Backbone interact. energy: -1.382 local terms energy: -333.129127 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -73.773 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -91.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1100.488813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.488813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.488813 (E_RNA) where: Base-Base interactions energy: -748.524 where: short stacking energy: -346.124 Base-Backbone interact. energy: 0.340 local terms energy: -352.305282 where: bonds (distance) C4'-P energy: -68.012 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -75.860 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -98.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1067.629328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.629328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.629328 (E_RNA) where: Base-Base interactions energy: -748.828 where: short stacking energy: -332.285 Base-Backbone interact. energy: -0.523 local terms energy: -318.278351 where: bonds (distance) C4'-P energy: -58.722 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -66.002 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -90.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1034.242434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.242434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.242434 (E_RNA) where: Base-Base interactions energy: -721.455 where: short stacking energy: -308.330 Base-Backbone interact. energy: -1.009 local terms energy: -311.777884 where: bonds (distance) C4'-P energy: -54.168 bonds (distance) P-C4' energy: -60.183 flat angles C4'-P-C4' energy: -69.040 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -91.906 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: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -964.608197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.608197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.608197 (E_RNA) where: Base-Base interactions energy: -660.899 where: short stacking energy: -293.025 Base-Backbone interact. energy: -2.157 local terms energy: -301.551772 where: bonds (distance) C4'-P energy: -64.849 bonds (distance) P-C4' energy: -55.393 flat angles C4'-P-C4' energy: -65.783 flat angles P-C4'-P energy: -38.266 tors. eta vs tors. theta energy: -77.261 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: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -929.715204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.715204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.715204 (E_RNA) where: Base-Base interactions energy: -624.928 where: short stacking energy: -286.492 Base-Backbone interact. energy: -1.078 local terms energy: -303.709277 where: bonds (distance) C4'-P energy: -61.874 bonds (distance) P-C4' energy: -52.350 flat angles C4'-P-C4' energy: -68.384 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -87.339 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: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -749.270627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.270627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.270627 (E_RNA) where: Base-Base interactions energy: -498.519 where: short stacking energy: -210.817 Base-Backbone interact. energy: -0.429 local terms energy: -250.322435 where: bonds (distance) C4'-P energy: -57.440 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -45.115 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -50.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -731.081463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.081463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.081463 (E_RNA) where: Base-Base interactions energy: -497.033 where: short stacking energy: -244.530 Base-Backbone interact. energy: 1.875 local terms energy: -235.922737 where: bonds (distance) C4'-P energy: -46.178 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -54.620 flat angles P-C4'-P energy: -32.338 tors. eta vs tors. theta energy: -46.368 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: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -551.659313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.659313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.659313 (E_RNA) where: Base-Base interactions energy: -345.381 where: short stacking energy: -154.733 Base-Backbone interact. energy: -0.285 local terms energy: -205.993206 where: bonds (distance) C4'-P energy: -55.575 bonds (distance) P-C4' energy: -49.297 flat angles C4'-P-C4' energy: -55.116 flat angles P-C4'-P energy: -29.713 tors. eta vs tors. theta energy: -16.291 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: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -539.726693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.726693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.726693 (E_RNA) where: Base-Base interactions energy: -322.888 where: short stacking energy: -141.765 Base-Backbone interact. energy: 2.050 local terms energy: -218.888734 where: bonds (distance) C4'-P energy: -58.248 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -53.012 flat angles P-C4'-P energy: -31.904 tors. eta vs tors. theta energy: -20.257 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: 201 Temperature: 0.900000 Total energy: -1110.154483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.154483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.154483 (E_RNA) where: Base-Base interactions energy: -776.995 where: short stacking energy: -331.809 Base-Backbone interact. energy: -1.403 local terms energy: -331.756815 where: bonds (distance) C4'-P energy: -66.349 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -70.174 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -81.090 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: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1106.964289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.964289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.964289 (E_RNA) where: Base-Base interactions energy: -762.726 where: short stacking energy: -350.395 Base-Backbone interact. energy: -1.305 local terms energy: -342.932970 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -68.572 flat angles C4'-P-C4' energy: -63.584 flat angles P-C4'-P energy: -48.009 tors. eta vs tors. theta energy: -98.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1078.924868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.924868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.924868 (E_RNA) where: Base-Base interactions energy: -767.206 where: short stacking energy: -331.710 Base-Backbone interact. energy: -0.363 local terms energy: -311.355449 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -66.144 flat angles P-C4'-P energy: -38.033 tors. eta vs tors. theta energy: -90.792 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: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1056.668688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.668688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.668688 (E_RNA) where: Base-Base interactions energy: -744.454 where: short stacking energy: -314.400 Base-Backbone interact. energy: -1.553 local terms energy: -310.661800 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -62.629 flat angles P-C4'-P energy: -42.729 tors. eta vs tors. theta energy: -84.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -951.864567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.864567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.864567 (E_RNA) where: Base-Base interactions energy: -672.082 where: short stacking energy: -286.546 Base-Backbone interact. energy: -0.596 local terms energy: -279.186805 where: bonds (distance) C4'-P energy: -53.691 bonds (distance) P-C4' energy: -54.623 flat angles C4'-P-C4' energy: -61.560 flat angles P-C4'-P energy: -35.385 tors. eta vs tors. theta energy: -73.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -925.551299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.551299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.551299 (E_RNA) where: Base-Base interactions energy: -631.106 where: short stacking energy: -275.189 Base-Backbone interact. energy: -0.383 local terms energy: -294.061602 where: bonds (distance) C4'-P energy: -43.300 bonds (distance) P-C4' energy: -59.560 flat angles C4'-P-C4' energy: -65.521 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -79.218 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: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -755.079261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.079261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.079261 (E_RNA) where: Base-Base interactions energy: -501.240 where: short stacking energy: -235.106 Base-Backbone interact. energy: -1.225 local terms energy: -252.614904 where: bonds (distance) C4'-P energy: -46.091 bonds (distance) P-C4' energy: -48.067 flat angles C4'-P-C4' energy: -60.470 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -48.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -795.843219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.843219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.843219 (E_RNA) where: Base-Base interactions energy: -513.435 where: short stacking energy: -241.864 Base-Backbone interact. energy: -0.769 local terms energy: -281.639108 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -60.783 flat angles P-C4'-P energy: -35.941 tors. eta vs tors. theta energy: -66.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -596.148700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.148700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.148700 (E_RNA) where: Base-Base interactions energy: -386.890 where: short stacking energy: -161.981 Base-Backbone interact. energy: -0.753 local terms energy: -208.505076 where: bonds (distance) C4'-P energy: -55.784 bonds (distance) P-C4' energy: -48.909 flat angles C4'-P-C4' energy: -44.401 flat angles P-C4'-P energy: -34.351 tors. eta vs tors. theta energy: -25.060 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: 201 Temperature: 1.350000 Total energy: -616.462801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.462801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.462801 (E_RNA) where: Base-Base interactions energy: -415.116 where: short stacking energy: -192.842 Base-Backbone interact. energy: 2.917 local terms energy: -204.263415 where: bonds (distance) C4'-P energy: -56.376 bonds (distance) P-C4' energy: -54.573 flat angles C4'-P-C4' energy: -47.077 flat angles P-C4'-P energy: -23.139 tors. eta vs tors. theta energy: -23.098 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: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1155.814452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.814452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.814452 (E_RNA) where: Base-Base interactions energy: -803.425 where: short stacking energy: -354.694 Base-Backbone interact. energy: -0.774 local terms energy: -351.615754 where: bonds (distance) C4'-P energy: -59.569 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -74.870 flat angles P-C4'-P energy: -48.292 tors. eta vs tors. theta energy: -105.246 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: 202 Temperature: 0.950000 Total energy: -1107.280241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.280241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.280241 (E_RNA) where: Base-Base interactions energy: -757.296 where: short stacking energy: -339.891 Base-Backbone interact. energy: -2.736 local terms energy: -347.247464 where: bonds (distance) C4'-P energy: -61.322 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -74.354 flat angles P-C4'-P energy: -58.579 tors. eta vs tors. theta energy: -88.348 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: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1085.247912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.247912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.247912 (E_RNA) where: Base-Base interactions energy: -755.654 where: short stacking energy: -341.059 Base-Backbone interact. energy: -0.495 local terms energy: -329.099489 where: bonds (distance) C4'-P energy: -57.417 bonds (distance) P-C4' energy: -56.710 flat angles C4'-P-C4' energy: -70.599 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: -101.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1052.523712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.523712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.523712 (E_RNA) where: Base-Base interactions energy: -737.264 where: short stacking energy: -312.792 Base-Backbone interact. energy: -2.658 local terms energy: -312.601567 where: bonds (distance) C4'-P energy: -60.051 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -69.259 flat angles P-C4'-P energy: -33.489 tors. eta vs tors. theta energy: -85.604 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: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -940.310138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.310138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.310138 (E_RNA) where: Base-Base interactions energy: -633.365 where: short stacking energy: -275.808 Base-Backbone interact. energy: -0.323 local terms energy: -306.622385 where: bonds (distance) C4'-P energy: -64.555 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -57.432 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: -71.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -898.542674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.542674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.542674 (E_RNA) where: Base-Base interactions energy: -616.789 where: short stacking energy: -293.112 Base-Backbone interact. energy: 0.246 local terms energy: -282.000196 where: bonds (distance) C4'-P energy: -56.226 bonds (distance) P-C4' energy: -56.170 flat angles C4'-P-C4' energy: -65.231 flat angles P-C4'-P energy: -34.960 tors. eta vs tors. theta energy: -69.413 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: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -862.822878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.822878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.822878 (E_RNA) where: Base-Base interactions energy: -585.141 where: short stacking energy: -270.926 Base-Backbone interact. energy: -0.794 local terms energy: -276.888178 where: bonds (distance) C4'-P energy: -45.304 bonds (distance) P-C4' energy: -55.130 flat angles C4'-P-C4' energy: -64.198 flat angles P-C4'-P energy: -48.406 tors. eta vs tors. theta energy: -63.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -685.766073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.766073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.766073 (E_RNA) where: Base-Base interactions energy: -442.500 where: short stacking energy: -205.475 Base-Backbone interact. energy: -1.088 local terms energy: -242.177673 where: bonds (distance) C4'-P energy: -49.123 bonds (distance) P-C4' energy: -63.306 flat angles C4'-P-C4' energy: -50.513 flat angles P-C4'-P energy: -26.825 tors. eta vs tors. theta energy: -52.410 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: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -663.047985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.047985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.047985 (E_RNA) where: Base-Base interactions energy: -441.327 where: short stacking energy: -210.187 Base-Backbone interact. energy: 1.315 local terms energy: -223.035791 where: bonds (distance) C4'-P energy: -50.275 bonds (distance) P-C4' energy: -44.412 flat angles C4'-P-C4' energy: -46.932 flat angles P-C4'-P energy: -34.395 tors. eta vs tors. theta energy: -47.022 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: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -620.853451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.853451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.853451 (E_RNA) where: Base-Base interactions energy: -381.581 where: short stacking energy: -165.703 Base-Backbone interact. energy: 0.966 local terms energy: -240.238777 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -56.416 flat angles C4'-P-C4' energy: -56.349 flat angles P-C4'-P energy: -35.756 tors. eta vs tors. theta energy: -29.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1136.790016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.790016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.790016 (E_RNA) where: Base-Base interactions energy: -771.268 where: short stacking energy: -342.081 Base-Backbone interact. energy: -0.842 local terms energy: -364.680203 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -71.102 flat angles C4'-P-C4' energy: -75.491 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -102.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1102.971679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.971679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.971679 (E_RNA) where: Base-Base interactions energy: -776.537 where: short stacking energy: -346.853 Base-Backbone interact. energy: -0.644 local terms energy: -325.790610 where: bonds (distance) C4'-P energy: -54.798 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -71.773 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -94.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1098.454306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.454306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.454306 (E_RNA) where: Base-Base interactions energy: -763.518 where: short stacking energy: -327.479 Base-Backbone interact. energy: -1.502 local terms energy: -333.433739 where: bonds (distance) C4'-P energy: -65.416 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -73.531 flat angles P-C4'-P energy: -41.476 tors. eta vs tors. theta energy: -94.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1057.758992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.758992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.758992 (E_RNA) where: Base-Base interactions energy: -729.528 where: short stacking energy: -319.545 Base-Backbone interact. energy: -1.074 local terms energy: -327.156823 where: bonds (distance) C4'-P energy: -61.831 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -71.199 flat angles P-C4'-P energy: -42.224 tors. eta vs tors. theta energy: -89.177 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: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -950.077379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.077379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.077379 (E_RNA) where: Base-Base interactions energy: -669.605 where: short stacking energy: -305.442 Base-Backbone interact. energy: 0.202 local terms energy: -280.673657 where: bonds (distance) C4'-P energy: -56.982 bonds (distance) P-C4' energy: -54.769 flat angles C4'-P-C4' energy: -61.577 flat angles P-C4'-P energy: -29.844 tors. eta vs tors. theta energy: -77.502 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: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -909.924607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.924607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.924607 (E_RNA) where: Base-Base interactions energy: -619.492 where: short stacking energy: -301.353 Base-Backbone interact. energy: -0.908 local terms energy: -289.524803 where: bonds (distance) C4'-P energy: -58.166 bonds (distance) P-C4' energy: -59.116 flat angles C4'-P-C4' energy: -63.966 flat angles P-C4'-P energy: -30.513 tors. eta vs tors. theta energy: -77.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -863.368943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.368943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.368943 (E_RNA) where: Base-Base interactions energy: -586.851 where: short stacking energy: -258.649 Base-Backbone interact. energy: -1.435 local terms energy: -275.082345 where: bonds (distance) C4'-P energy: -62.974 bonds (distance) P-C4' energy: -48.934 flat angles C4'-P-C4' energy: -60.525 flat angles P-C4'-P energy: -34.773 tors. eta vs tors. theta energy: -67.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -693.467722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.467722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.467722 (E_RNA) where: Base-Base interactions energy: -444.595 where: short stacking energy: -211.005 Base-Backbone interact. energy: 1.911 local terms energy: -250.784288 where: bonds (distance) C4'-P energy: -51.119 bonds (distance) P-C4' energy: -52.571 flat angles C4'-P-C4' energy: -65.797 flat angles P-C4'-P energy: -27.636 tors. eta vs tors. theta energy: -53.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -673.551863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.551863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.551863 (E_RNA) where: Base-Base interactions energy: -433.852 where: short stacking energy: -201.726 Base-Backbone interact. energy: -2.318 local terms energy: -237.382645 where: bonds (distance) C4'-P energy: -46.874 bonds (distance) P-C4' energy: -52.496 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -29.483 tors. eta vs tors. theta energy: -39.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -612.521125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.521125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.521125 (E_RNA) where: Base-Base interactions energy: -396.379 where: short stacking energy: -179.293 Base-Backbone interact. energy: 3.280 local terms energy: -219.422594 where: bonds (distance) C4'-P energy: -57.841 bonds (distance) P-C4' energy: -53.434 flat angles C4'-P-C4' energy: -39.849 flat angles P-C4'-P energy: -27.551 tors. eta vs tors. theta energy: -40.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1154.099071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.099071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.099071 (E_RNA) where: Base-Base interactions energy: -792.495 where: short stacking energy: -357.716 Base-Backbone interact. energy: -0.272 local terms energy: -361.332176 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -72.274 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -106.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1127.269943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.269943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.269943 (E_RNA) where: Base-Base interactions energy: -782.524 where: short stacking energy: -338.578 Base-Backbone interact. energy: -1.832 local terms energy: -342.914587 where: bonds (distance) C4'-P energy: -65.998 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -74.367 flat angles P-C4'-P energy: -36.899 tors. eta vs tors. theta energy: -95.334 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: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1073.712356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.712356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.712356 (E_RNA) where: Base-Base interactions energy: -755.077 where: short stacking energy: -327.247 Base-Backbone interact. energy: -0.449 local terms energy: -318.186202 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -53.697 flat angles C4'-P-C4' energy: -64.485 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -93.283 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: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1047.131196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.131196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.131196 (E_RNA) where: Base-Base interactions energy: -727.273 where: short stacking energy: -324.136 Base-Backbone interact. energy: -1.758 local terms energy: -318.100571 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -61.964 flat angles C4'-P-C4' energy: -74.208 flat angles P-C4'-P energy: -33.949 tors. eta vs tors. theta energy: -87.009 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: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -926.221726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.221726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.221726 (E_RNA) where: Base-Base interactions energy: -643.479 where: short stacking energy: -287.284 Base-Backbone interact. energy: -0.292 local terms energy: -282.450492 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -52.695 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -73.229 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: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -913.929159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.929159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.929159 (E_RNA) where: Base-Base interactions energy: -626.493 where: short stacking energy: -279.970 Base-Backbone interact. energy: -1.671 local terms energy: -285.765171 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -56.357 flat angles C4'-P-C4' energy: -62.758 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: -72.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -824.261614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.261614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.261614 (E_RNA) where: Base-Base interactions energy: -552.821 where: short stacking energy: -249.399 Base-Backbone interact. energy: -0.333 local terms energy: -271.108224 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -51.466 flat angles C4'-P-C4' energy: -60.581 flat angles P-C4'-P energy: -40.258 tors. eta vs tors. theta energy: -61.554 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: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -737.535781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.535781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.535781 (E_RNA) where: Base-Base interactions energy: -488.666 where: short stacking energy: -218.504 Base-Backbone interact. energy: 1.293 local terms energy: -250.162426 where: bonds (distance) C4'-P energy: -54.569 bonds (distance) P-C4' energy: -55.335 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -26.954 tors. eta vs tors. theta energy: -48.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -713.407416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.407416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.407416 (E_RNA) where: Base-Base interactions energy: -465.835 where: short stacking energy: -189.737 Base-Backbone interact. energy: 0.814 local terms energy: -248.386328 where: bonds (distance) C4'-P energy: -59.577 bonds (distance) P-C4' energy: -57.290 flat angles C4'-P-C4' energy: -61.434 flat angles P-C4'-P energy: -28.237 tors. eta vs tors. theta energy: -41.848 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -615.548566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.548566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.548566 (E_RNA) where: Base-Base interactions energy: -401.769 where: short stacking energy: -181.352 Base-Backbone interact. energy: -1.823 local terms energy: -211.956531 where: bonds (distance) C4'-P energy: -40.407 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -51.909 flat angles P-C4'-P energy: -29.915 tors. eta vs tors. theta energy: -23.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1159.897922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.897922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.897922 (E_RNA) where: Base-Base interactions energy: -796.500 where: short stacking energy: -373.497 Base-Backbone interact. energy: 0.299 local terms energy: -363.697033 where: bonds (distance) C4'-P energy: -67.763 bonds (distance) P-C4' energy: -59.537 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -107.129 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: 205 Temperature: 0.950000 Total energy: -1095.291931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.291931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.291931 (E_RNA) where: Base-Base interactions energy: -751.615 where: short stacking energy: -325.960 Base-Backbone interact. energy: -0.323 local terms energy: -343.354084 where: bonds (distance) C4'-P energy: -66.674 bonds (distance) P-C4' energy: -68.580 flat angles C4'-P-C4' energy: -69.709 flat angles P-C4'-P energy: -43.941 tors. eta vs tors. theta energy: -94.449 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: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1102.082254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.082254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.082254 (E_RNA) where: Base-Base interactions energy: -779.186 where: short stacking energy: -345.864 Base-Backbone interact. energy: 1.600 local terms energy: -324.496692 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -58.150 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -50.420 tors. eta vs tors. theta energy: -91.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1070.746968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.746968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.746968 (E_RNA) where: Base-Base interactions energy: -733.331 where: short stacking energy: -335.744 Base-Backbone interact. energy: 0.261 local terms energy: -337.677435 where: bonds (distance) C4'-P energy: -61.962 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -72.952 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -98.034 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: 205 Temperature: 1.100000 Total energy: -955.391190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.391190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.391190 (E_RNA) where: Base-Base interactions energy: -661.848 where: short stacking energy: -303.731 Base-Backbone interact. energy: 1.092 local terms energy: -294.634455 where: bonds (distance) C4'-P energy: -55.222 bonds (distance) P-C4' energy: -57.828 flat angles C4'-P-C4' energy: -70.938 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: -72.921 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: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -916.818117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.818117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.818117 (E_RNA) where: Base-Base interactions energy: -632.267 where: short stacking energy: -280.512 Base-Backbone interact. energy: -0.869 local terms energy: -283.681586 where: bonds (distance) C4'-P energy: -44.651 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -62.581 flat angles P-C4'-P energy: -45.553 tors. eta vs tors. theta energy: -66.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -844.113098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.113098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.113098 (E_RNA) where: Base-Base interactions energy: -577.609 where: short stacking energy: -254.376 Base-Backbone interact. energy: 2.527 local terms energy: -269.031318 where: bonds (distance) C4'-P energy: -51.254 bonds (distance) P-C4' energy: -62.984 flat angles C4'-P-C4' energy: -52.552 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -62.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -733.210652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.210652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.210652 (E_RNA) where: Base-Base interactions energy: -467.757 where: short stacking energy: -232.828 Base-Backbone interact. energy: -1.799 local terms energy: -263.655380 where: bonds (distance) C4'-P energy: -53.519 bonds (distance) P-C4' energy: -58.207 flat angles C4'-P-C4' energy: -56.754 flat angles P-C4'-P energy: -41.358 tors. eta vs tors. theta energy: -53.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -753.495774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.495774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.495774 (E_RNA) where: Base-Base interactions energy: -495.871 where: short stacking energy: -226.288 Base-Backbone interact. energy: 0.647 local terms energy: -258.272257 where: bonds (distance) C4'-P energy: -53.637 bonds (distance) P-C4' energy: -57.852 flat angles C4'-P-C4' energy: -52.017 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -55.060 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: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -634.522510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.522510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.522510 (E_RNA) where: Base-Base interactions energy: -423.814 where: short stacking energy: -169.227 Base-Backbone interact. energy: -0.737 local terms energy: -209.972065 where: bonds (distance) C4'-P energy: -50.293 bonds (distance) P-C4' energy: -54.667 flat angles C4'-P-C4' energy: -54.913 flat angles P-C4'-P energy: -24.881 tors. eta vs tors. theta energy: -25.218 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: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1174.876270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.876270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.876270 (E_RNA) where: Base-Base interactions energy: -815.673 where: short stacking energy: -350.155 Base-Backbone interact. energy: -1.000 local terms energy: -358.202721 where: bonds (distance) C4'-P energy: -67.792 bonds (distance) P-C4' energy: -64.581 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -50.483 tors. eta vs tors. theta energy: -103.588 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: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1092.417151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.417151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.417151 (E_RNA) where: Base-Base interactions energy: -739.123 where: short stacking energy: -320.099 Base-Backbone interact. energy: -2.322 local terms energy: -350.973027 where: bonds (distance) C4'-P energy: -65.963 bonds (distance) P-C4' energy: -69.821 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -90.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1072.892520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.892520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.892520 (E_RNA) where: Base-Base interactions energy: -727.992 where: short stacking energy: -332.910 Base-Backbone interact. energy: -0.724 local terms energy: -344.176174 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -71.533 flat angles P-C4'-P energy: -52.568 tors. eta vs tors. theta energy: -92.037 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: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1086.941241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.941241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.941241 (E_RNA) where: Base-Base interactions energy: -760.693 where: short stacking energy: -335.143 Base-Backbone interact. energy: -0.918 local terms energy: -325.330679 where: bonds (distance) C4'-P energy: -55.809 bonds (distance) P-C4' energy: -65.889 flat angles C4'-P-C4' energy: -64.304 flat angles P-C4'-P energy: -45.082 tors. eta vs tors. theta energy: -94.248 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -971.608062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.608062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.608062 (E_RNA) where: Base-Base interactions energy: -656.853 where: short stacking energy: -310.969 Base-Backbone interact. energy: -0.565 local terms energy: -314.189732 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -61.319 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -86.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -929.865773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.865773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.865773 (E_RNA) where: Base-Base interactions energy: -632.980 where: short stacking energy: -288.422 Base-Backbone interact. energy: -0.480 local terms energy: -296.405774 where: bonds (distance) C4'-P energy: -57.073 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -71.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -729.710824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.710824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.710824 (E_RNA) where: Base-Base interactions energy: -488.752 where: short stacking energy: -247.634 Base-Backbone interact. energy: 0.089 local terms energy: -241.047739 where: bonds (distance) C4'-P energy: -43.302 bonds (distance) P-C4' energy: -50.162 flat angles C4'-P-C4' energy: -54.880 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -54.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -816.770029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.770029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.770029 (E_RNA) where: Base-Base interactions energy: -564.801 where: short stacking energy: -239.294 Base-Backbone interact. energy: -0.502 local terms energy: -251.466963 where: bonds (distance) C4'-P energy: -45.410 bonds (distance) P-C4' energy: -52.154 flat angles C4'-P-C4' energy: -58.842 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -57.910 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: 9, replica: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -742.346330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.346330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.346330 (E_RNA) where: Base-Base interactions energy: -500.310 where: short stacking energy: -216.897 Base-Backbone interact. energy: 0.266 local terms energy: -242.302351 where: bonds (distance) C4'-P energy: -41.221 bonds (distance) P-C4' energy: -60.528 flat angles C4'-P-C4' energy: -52.986 flat angles P-C4'-P energy: -28.439 tors. eta vs tors. theta energy: -59.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -622.381444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.381444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.381444 (E_RNA) where: Base-Base interactions energy: -402.138 where: short stacking energy: -187.444 Base-Backbone interact. energy: -0.888 local terms energy: -219.354688 where: bonds (distance) C4'-P energy: -50.752 bonds (distance) P-C4' energy: -42.540 flat angles C4'-P-C4' energy: -48.506 flat angles P-C4'-P energy: -36.998 tors. eta vs tors. theta energy: -40.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1166.194206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.194206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.194206 (E_RNA) where: Base-Base interactions energy: -811.007 where: short stacking energy: -362.422 Base-Backbone interact. energy: -1.420 local terms energy: -353.767325 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -73.324 flat angles P-C4'-P energy: -48.256 tors. eta vs tors. theta energy: -102.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1105.243970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.243970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.243970 (E_RNA) where: Base-Base interactions energy: -756.035 where: short stacking energy: -322.208 Base-Backbone interact. energy: -0.680 local terms energy: -348.529640 where: bonds (distance) C4'-P energy: -62.110 bonds (distance) P-C4' energy: -64.695 flat angles C4'-P-C4' energy: -77.787 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -92.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1060.580283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.580283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.580283 (E_RNA) where: Base-Base interactions energy: -728.851 where: short stacking energy: -327.846 Base-Backbone interact. energy: -1.161 local terms energy: -330.568416 where: bonds (distance) C4'-P energy: -55.529 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -63.593 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -97.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1066.130662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.130662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.130662 (E_RNA) where: Base-Base interactions energy: -742.203 where: short stacking energy: -325.824 Base-Backbone interact. energy: -0.708 local terms energy: -323.220028 where: bonds (distance) C4'-P energy: -59.571 bonds (distance) P-C4' energy: -58.440 flat angles C4'-P-C4' energy: -65.526 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -94.618 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: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -953.219673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.219673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.219673 (E_RNA) where: Base-Base interactions energy: -634.116 where: short stacking energy: -314.998 Base-Backbone interact. energy: -1.421 local terms energy: -317.682906 where: bonds (distance) C4'-P energy: -59.371 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -72.143 flat angles P-C4'-P energy: -41.499 tors. eta vs tors. theta energy: -85.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -938.002772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.002772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.002772 (E_RNA) where: Base-Base interactions energy: -659.636 where: short stacking energy: -291.478 Base-Backbone interact. energy: 0.813 local terms energy: -279.180531 where: bonds (distance) C4'-P energy: -48.199 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -56.846 flat angles P-C4'-P energy: -42.824 tors. eta vs tors. theta energy: -72.000 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: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -774.920102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.920102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.920102 (E_RNA) where: Base-Base interactions energy: -520.212 where: short stacking energy: -240.229 Base-Backbone interact. energy: -0.427 local terms energy: -254.281714 where: bonds (distance) C4'-P energy: -49.084 bonds (distance) P-C4' energy: -53.389 flat angles C4'-P-C4' energy: -60.871 flat angles P-C4'-P energy: -37.816 tors. eta vs tors. theta energy: -53.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -791.693130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.693130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.693130 (E_RNA) where: Base-Base interactions energy: -526.268 where: short stacking energy: -228.470 Base-Backbone interact. energy: -0.988 local terms energy: -264.437745 where: bonds (distance) C4'-P energy: -49.920 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -63.881 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -50.566 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: 207 Temperature: 1.300000 Total energy: -728.819157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.819157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.819157 (E_RNA) where: Base-Base interactions energy: -488.505 where: short stacking energy: -206.716 Base-Backbone interact. energy: -0.743 local terms energy: -239.571788 where: bonds (distance) C4'-P energy: -52.114 bonds (distance) P-C4' energy: -61.587 flat angles C4'-P-C4' energy: -54.409 flat angles P-C4'-P energy: -22.490 tors. eta vs tors. theta energy: -48.972 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: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -593.994019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.994019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.994019 (E_RNA) where: Base-Base interactions energy: -372.409 where: short stacking energy: -167.527 Base-Backbone interact. energy: -1.464 local terms energy: -220.121309 where: bonds (distance) C4'-P energy: -53.723 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -48.598 flat angles P-C4'-P energy: -34.586 tors. eta vs tors. theta energy: -25.646 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: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1175.116811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.116811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.116811 (E_RNA) where: Base-Base interactions energy: -800.980 where: short stacking energy: -352.680 Base-Backbone interact. energy: -1.050 local terms energy: -373.086783 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -67.968 flat angles C4'-P-C4' energy: -79.230 flat angles P-C4'-P energy: -53.185 tors. eta vs tors. theta energy: -106.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1090.201854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.201854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.201854 (E_RNA) where: Base-Base interactions energy: -747.682 where: short stacking energy: -320.341 Base-Backbone interact. energy: -2.102 local terms energy: -340.417339 where: bonds (distance) C4'-P energy: -69.052 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -66.443 flat angles P-C4'-P energy: -46.069 tors. eta vs tors. theta energy: -92.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1058.934758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.934758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.934758 (E_RNA) where: Base-Base interactions energy: -729.780 where: short stacking energy: -332.516 Base-Backbone interact. energy: -0.774 local terms energy: -328.380794 where: bonds (distance) C4'-P energy: -65.167 bonds (distance) P-C4' energy: -60.300 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -44.874 tors. eta vs tors. theta energy: -94.944 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: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1062.679070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.679070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.679070 (E_RNA) where: Base-Base interactions energy: -745.003 where: short stacking energy: -317.144 Base-Backbone interact. energy: -1.074 local terms energy: -316.601634 where: bonds (distance) C4'-P energy: -53.238 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -85.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -968.676049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.676049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.676049 (E_RNA) where: Base-Base interactions energy: -673.196 where: short stacking energy: -313.432 Base-Backbone interact. energy: 0.164 local terms energy: -295.644798 where: bonds (distance) C4'-P energy: -55.530 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -57.088 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -74.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -900.172611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.172611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.172611 (E_RNA) where: Base-Base interactions energy: -601.769 where: short stacking energy: -257.934 Base-Backbone interact. energy: -1.045 local terms energy: -297.358230 where: bonds (distance) C4'-P energy: -63.084 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -65.069 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: -69.562 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: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -783.598062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.598062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.598062 (E_RNA) where: Base-Base interactions energy: -525.337 where: short stacking energy: -234.397 Base-Backbone interact. energy: 0.107 local terms energy: -258.368082 where: bonds (distance) C4'-P energy: -52.886 bonds (distance) P-C4' energy: -58.687 flat angles C4'-P-C4' energy: -54.427 flat angles P-C4'-P energy: -36.613 tors. eta vs tors. theta energy: -55.755 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -807.680022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.680022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.680022 (E_RNA) where: Base-Base interactions energy: -533.979 where: short stacking energy: -234.470 Base-Backbone interact. energy: -0.298 local terms energy: -273.403863 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -58.943 flat angles C4'-P-C4' energy: -54.791 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -57.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -739.452306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.452306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.452306 (E_RNA) where: Base-Base interactions energy: -493.316 where: short stacking energy: -216.338 Base-Backbone interact. energy: -0.711 local terms energy: -245.425553 where: bonds (distance) C4'-P energy: -46.451 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -52.733 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: -46.598 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: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -584.544278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.544278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.544278 (E_RNA) where: Base-Base interactions energy: -378.927 where: short stacking energy: -168.098 Base-Backbone interact. energy: 0.433 local terms energy: -206.049854 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -42.714 flat angles C4'-P-C4' energy: -54.210 flat angles P-C4'-P energy: -27.876 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: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1167.071183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.071183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.071183 (E_RNA) where: Base-Base interactions energy: -804.308 where: short stacking energy: -345.142 Base-Backbone interact. energy: 0.276 local terms energy: -363.038862 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -74.684 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -104.331 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: 209 Temperature: 0.950000 Total energy: -1090.259996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.259996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.259996 (E_RNA) where: Base-Base interactions energy: -760.819 where: short stacking energy: -315.812 Base-Backbone interact. energy: -1.539 local terms energy: -327.902794 where: bonds (distance) C4'-P energy: -60.825 bonds (distance) P-C4' energy: -66.143 flat angles C4'-P-C4' energy: -67.856 flat angles P-C4'-P energy: -46.565 tors. eta vs tors. theta energy: -86.514 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: 209 Temperature: 1.000000 Total energy: -1079.600222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.600222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.600222 (E_RNA) where: Base-Base interactions energy: -744.551 where: short stacking energy: -332.229 Base-Backbone interact. energy: -1.641 local terms energy: -333.407980 where: bonds (distance) C4'-P energy: -57.899 bonds (distance) P-C4' energy: -56.942 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -93.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1066.452681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.452681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.452681 (E_RNA) where: Base-Base interactions energy: -741.881 where: short stacking energy: -318.381 Base-Backbone interact. energy: -0.874 local terms energy: -323.697411 where: bonds (distance) C4'-P energy: -53.909 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -47.464 tors. eta vs tors. theta energy: -93.526 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: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -974.309199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.309199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.309199 (E_RNA) where: Base-Base interactions energy: -684.578 where: short stacking energy: -317.802 Base-Backbone interact. energy: -0.481 local terms energy: -289.250705 where: bonds (distance) C4'-P energy: -50.485 bonds (distance) P-C4' energy: -55.556 flat angles C4'-P-C4' energy: -63.803 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: -80.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -910.498991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.498991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.498991 (E_RNA) where: Base-Base interactions energy: -631.227 where: short stacking energy: -283.003 Base-Backbone interact. energy: -1.076 local terms energy: -278.195351 where: bonds (distance) C4'-P energy: -58.675 bonds (distance) P-C4' energy: -45.144 flat angles C4'-P-C4' energy: -57.488 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -72.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -854.047502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.047502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.047502 (E_RNA) where: Base-Base interactions energy: -574.759 where: short stacking energy: -259.249 Base-Backbone interact. energy: -1.631 local terms energy: -277.657000 where: bonds (distance) C4'-P energy: -54.268 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -57.509 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -58.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -790.006749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.006749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.006749 (E_RNA) where: Base-Base interactions energy: -539.062 where: short stacking energy: -233.366 Base-Backbone interact. energy: 2.066 local terms energy: -253.010719 where: bonds (distance) C4'-P energy: -43.607 bonds (distance) P-C4' energy: -54.008 flat angles C4'-P-C4' energy: -61.256 flat angles P-C4'-P energy: -41.751 tors. eta vs tors. theta energy: -52.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -752.145419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.145419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.145419 (E_RNA) where: Base-Base interactions energy: -499.487 where: short stacking energy: -217.546 Base-Backbone interact. energy: 0.804 local terms energy: -253.461872 where: bonds (distance) C4'-P energy: -52.507 bonds (distance) P-C4' energy: -58.108 flat angles C4'-P-C4' energy: -51.140 flat angles P-C4'-P energy: -38.281 tors. eta vs tors. theta energy: -53.426 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: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -601.749875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.749875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.749875 (E_RNA) where: Base-Base interactions energy: -371.772 where: short stacking energy: -170.749 Base-Backbone interact. energy: 0.005 local terms energy: -229.983033 where: bonds (distance) C4'-P energy: -50.090 bonds (distance) P-C4' energy: -54.156 flat angles C4'-P-C4' energy: -55.364 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: -36.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1176.615271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.615271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.615271 (E_RNA) where: Base-Base interactions energy: -816.959 where: short stacking energy: -360.080 Base-Backbone interact. energy: -0.181 local terms energy: -359.475674 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -70.945 flat angles C4'-P-C4' energy: -75.907 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -108.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1074.500332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.500332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.500332 (E_RNA) where: Base-Base interactions energy: -757.975 where: short stacking energy: -312.988 Base-Backbone interact. energy: 0.095 local terms energy: -316.620376 where: bonds (distance) C4'-P energy: -71.737 bonds (distance) P-C4' energy: -63.604 flat angles C4'-P-C4' energy: -66.453 flat angles P-C4'-P energy: -33.248 tors. eta vs tors. theta energy: -81.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1093.810987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.810987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.810987 (E_RNA) where: Base-Base interactions energy: -754.524 where: short stacking energy: -317.558 Base-Backbone interact. energy: -1.222 local terms energy: -338.064925 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -63.580 flat angles C4'-P-C4' energy: -72.099 flat angles P-C4'-P energy: -49.366 tors. eta vs tors. theta energy: -93.629 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: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1080.070105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.070105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.070105 (E_RNA) where: Base-Base interactions energy: -749.379 where: short stacking energy: -336.857 Base-Backbone interact. energy: -1.294 local terms energy: -329.396605 where: bonds (distance) C4'-P energy: -59.343 bonds (distance) P-C4' energy: -72.667 flat angles C4'-P-C4' energy: -58.470 flat angles P-C4'-P energy: -44.365 tors. eta vs tors. theta energy: -94.552 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: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -988.152101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.152101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.152101 (E_RNA) where: Base-Base interactions energy: -694.095 where: short stacking energy: -305.967 Base-Backbone interact. energy: -1.677 local terms energy: -292.380464 where: bonds (distance) C4'-P energy: -58.396 bonds (distance) P-C4' energy: -59.448 flat angles C4'-P-C4' energy: -60.622 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -70.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -888.205528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.205528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.205528 (E_RNA) where: Base-Base interactions energy: -609.070 where: short stacking energy: -281.062 Base-Backbone interact. energy: 0.047 local terms energy: -279.182195 where: bonds (distance) C4'-P energy: -48.814 bonds (distance) P-C4' energy: -61.653 flat angles C4'-P-C4' energy: -57.871 flat angles P-C4'-P energy: -37.121 tors. eta vs tors. theta energy: -73.724 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: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -852.592488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.592488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.592488 (E_RNA) where: Base-Base interactions energy: -589.027 where: short stacking energy: -267.225 Base-Backbone interact. energy: 0.769 local terms energy: -264.334846 where: bonds (distance) C4'-P energy: -49.547 bonds (distance) P-C4' energy: -51.518 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -33.815 tors. eta vs tors. theta energy: -63.552 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: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -784.675634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.675634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.675634 (E_RNA) where: Base-Base interactions energy: -528.882 where: short stacking energy: -234.484 Base-Backbone interact. energy: 0.582 local terms energy: -256.375975 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -46.100 flat angles C4'-P-C4' energy: -64.518 flat angles P-C4'-P energy: -26.978 tors. eta vs tors. theta energy: -62.746 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: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -731.266117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.266117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.266117 (E_RNA) where: Base-Base interactions energy: -495.310 where: short stacking energy: -224.431 Base-Backbone interact. energy: 0.205 local terms energy: -236.161443 where: bonds (distance) C4'-P energy: -47.436 bonds (distance) P-C4' energy: -39.565 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -30.363 tors. eta vs tors. theta energy: -54.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -565.751587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.751587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.751587 (E_RNA) where: Base-Base interactions energy: -366.098 where: short stacking energy: -146.483 Base-Backbone interact. energy: -0.363 local terms energy: -199.289793 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -53.202 flat angles C4'-P-C4' energy: -38.002 flat angles P-C4'-P energy: -37.149 tors. eta vs tors. theta energy: -14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1167.096540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.096540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.096540 (E_RNA) where: Base-Base interactions energy: -811.375 where: short stacking energy: -343.261 Base-Backbone interact. energy: -0.690 local terms energy: -355.031014 where: bonds (distance) C4'-P energy: -59.279 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -72.209 flat angles P-C4'-P energy: -55.424 tors. eta vs tors. theta energy: -104.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1120.343461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.343461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.343461 (E_RNA) where: Base-Base interactions energy: -769.750 where: short stacking energy: -325.631 Base-Backbone interact. energy: -1.360 local terms energy: -349.233742 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -71.549 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -48.625 tors. eta vs tors. theta energy: -95.069 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: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1068.454492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.454492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.454492 (E_RNA) where: Base-Base interactions energy: -747.475 where: short stacking energy: -316.915 Base-Backbone interact. energy: -1.827 local terms energy: -319.152591 where: bonds (distance) C4'-P energy: -59.781 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -69.372 flat angles P-C4'-P energy: -40.172 tors. eta vs tors. theta energy: -89.332 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: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1044.437559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.437559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.437559 (E_RNA) where: Base-Base interactions energy: -741.848 where: short stacking energy: -318.237 Base-Backbone interact. energy: -1.263 local terms energy: -301.326861 where: bonds (distance) C4'-P energy: -50.939 bonds (distance) P-C4' energy: -58.567 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -36.344 tors. eta vs tors. theta energy: -88.911 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: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -940.908511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.908511 (E_RNA) where: Base-Base interactions energy: -651.286 where: short stacking energy: -265.421 Base-Backbone interact. energy: 1.761 local terms energy: -291.382676 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -65.921 flat angles C4'-P-C4' energy: -70.544 flat angles P-C4'-P energy: -43.195 tors. eta vs tors. theta energy: -56.725 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: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -910.229499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.229499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.229499 (E_RNA) where: Base-Base interactions energy: -634.475 where: short stacking energy: -296.883 Base-Backbone interact. energy: -3.147 local terms energy: -272.607088 where: bonds (distance) C4'-P energy: -41.927 bonds (distance) P-C4' energy: -43.430 flat angles C4'-P-C4' energy: -62.858 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -82.478 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: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -828.200912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.200912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.200912 (E_RNA) where: Base-Base interactions energy: -554.218 where: short stacking energy: -229.603 Base-Backbone interact. energy: -1.085 local terms energy: -272.898056 where: bonds (distance) C4'-P energy: -55.409 bonds (distance) P-C4' energy: -56.916 flat angles C4'-P-C4' energy: -57.354 flat angles P-C4'-P energy: -44.138 tors. eta vs tors. theta energy: -59.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -796.185350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.185350 (E_RNA) where: Base-Base interactions energy: -535.223 where: short stacking energy: -236.618 Base-Backbone interact. energy: -1.296 local terms energy: -259.666259 where: bonds (distance) C4'-P energy: -46.134 bonds (distance) P-C4' energy: -56.214 flat angles C4'-P-C4' energy: -61.683 flat angles P-C4'-P energy: -34.106 tors. eta vs tors. theta energy: -61.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -777.486287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.486287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.486287 (E_RNA) where: Base-Base interactions energy: -509.104 where: short stacking energy: -218.241 Base-Backbone interact. energy: 0.415 local terms energy: -268.797122 where: bonds (distance) C4'-P energy: -50.670 bonds (distance) P-C4' energy: -60.895 flat angles C4'-P-C4' energy: -55.323 flat angles P-C4'-P energy: -50.337 tors. eta vs tors. theta energy: -51.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -615.849797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.849797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.849797 (E_RNA) where: Base-Base interactions energy: -397.543 where: short stacking energy: -186.473 Base-Backbone interact. energy: -0.765 local terms energy: -217.542282 where: bonds (distance) C4'-P energy: -40.626 bonds (distance) P-C4' energy: -53.321 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -24.462 tors. eta vs tors. theta energy: -40.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1158.850207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.850207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.850207 (E_RNA) where: Base-Base interactions energy: -802.610 where: short stacking energy: -354.492 Base-Backbone interact. energy: -0.494 local terms energy: -355.746910 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -69.681 flat angles C4'-P-C4' energy: -72.733 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -102.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1119.227942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.227942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.227942 (E_RNA) where: Base-Base interactions energy: -787.318 where: short stacking energy: -342.084 Base-Backbone interact. energy: -1.112 local terms energy: -330.797723 where: bonds (distance) C4'-P energy: -53.522 bonds (distance) P-C4' energy: -50.816 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -56.497 tors. eta vs tors. theta energy: -100.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1074.097282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.097282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.097282 (E_RNA) where: Base-Base interactions energy: -746.144 where: short stacking energy: -308.684 Base-Backbone interact. energy: -1.925 local terms energy: -326.027561 where: bonds (distance) C4'-P energy: -65.244 bonds (distance) P-C4' energy: -59.298 flat angles C4'-P-C4' energy: -68.579 flat angles P-C4'-P energy: -39.520 tors. eta vs tors. theta energy: -93.387 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: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1073.698566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.698566 (E_RNA) where: Base-Base interactions energy: -746.113 where: short stacking energy: -335.754 Base-Backbone interact. energy: -1.462 local terms energy: -326.123590 where: bonds (distance) C4'-P energy: -57.350 bonds (distance) P-C4' energy: -62.079 flat angles C4'-P-C4' energy: -69.447 flat angles P-C4'-P energy: -42.239 tors. eta vs tors. theta energy: -95.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -956.607935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.607935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.607935 (E_RNA) where: Base-Base interactions energy: -649.269 where: short stacking energy: -288.390 Base-Backbone interact. energy: -0.466 local terms energy: -306.872347 where: bonds (distance) C4'-P energy: -60.323 bonds (distance) P-C4' energy: -63.447 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -72.921 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: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -948.497243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.497243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.497243 (E_RNA) where: Base-Base interactions energy: -649.726 where: short stacking energy: -267.874 Base-Backbone interact. energy: -0.860 local terms energy: -297.911531 where: bonds (distance) C4'-P energy: -53.760 bonds (distance) P-C4' energy: -61.464 flat angles C4'-P-C4' energy: -65.323 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -77.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -841.392118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.392118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.392118 (E_RNA) where: Base-Base interactions energy: -583.048 where: short stacking energy: -262.723 Base-Backbone interact. energy: -1.995 local terms energy: -256.349479 where: bonds (distance) C4'-P energy: -42.010 bonds (distance) P-C4' energy: -55.353 flat angles C4'-P-C4' energy: -61.854 flat angles P-C4'-P energy: -35.969 tors. eta vs tors. theta energy: -61.163 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: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -801.423650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.423650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.423650 (E_RNA) where: Base-Base interactions energy: -531.275 where: short stacking energy: -237.084 Base-Backbone interact. energy: 1.970 local terms energy: -272.118013 where: bonds (distance) C4'-P energy: -54.627 bonds (distance) P-C4' energy: -59.944 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -34.946 tors. eta vs tors. theta energy: -55.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -726.687626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.687626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.687626 (E_RNA) where: Base-Base interactions energy: -483.052 where: short stacking energy: -221.251 Base-Backbone interact. energy: -0.608 local terms energy: -243.027346 where: bonds (distance) C4'-P energy: -60.115 bonds (distance) P-C4' energy: -57.096 flat angles C4'-P-C4' energy: -41.100 flat angles P-C4'-P energy: -31.246 tors. eta vs tors. theta energy: -53.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -584.360721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.360721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.360721 (E_RNA) where: Base-Base interactions energy: -368.398 where: short stacking energy: -158.461 Base-Backbone interact. energy: -0.449 local terms energy: -215.513647 where: bonds (distance) C4'-P energy: -48.769 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -46.443 flat angles P-C4'-P energy: -38.437 tors. eta vs tors. theta energy: -25.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1146.691620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.691620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.691620 (E_RNA) where: Base-Base interactions energy: -795.580 where: short stacking energy: -353.320 Base-Backbone interact. energy: -0.677 local terms energy: -350.434836 where: bonds (distance) C4'-P energy: -58.794 bonds (distance) P-C4' energy: -66.967 flat angles C4'-P-C4' energy: -67.704 flat angles P-C4'-P energy: -50.605 tors. eta vs tors. theta energy: -106.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1108.803890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.803890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.803890 (E_RNA) where: Base-Base interactions energy: -780.566 where: short stacking energy: -343.511 Base-Backbone interact. energy: -1.350 local terms energy: -326.888093 where: bonds (distance) C4'-P energy: -49.217 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -71.971 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -92.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1072.671469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.671469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.671469 (E_RNA) where: Base-Base interactions energy: -736.053 where: short stacking energy: -334.036 Base-Backbone interact. energy: -1.328 local terms energy: -335.290785 where: bonds (distance) C4'-P energy: -62.886 bonds (distance) P-C4' energy: -61.935 flat angles C4'-P-C4' energy: -77.436 flat angles P-C4'-P energy: -43.176 tors. eta vs tors. theta energy: -89.857 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: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1081.100434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.100434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.100434 (E_RNA) where: Base-Base interactions energy: -746.306 where: short stacking energy: -340.765 Base-Backbone interact. energy: -2.921 local terms energy: -331.873690 where: bonds (distance) C4'-P energy: -55.961 bonds (distance) P-C4' energy: -52.293 flat angles C4'-P-C4' energy: -71.604 flat angles P-C4'-P energy: -46.743 tors. eta vs tors. theta energy: -105.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -961.850323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.850323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.850323 (E_RNA) where: Base-Base interactions energy: -661.500 where: short stacking energy: -309.179 Base-Backbone interact. energy: -0.320 local terms energy: -300.030112 where: bonds (distance) C4'-P energy: -50.019 bonds (distance) P-C4' energy: -65.012 flat angles C4'-P-C4' energy: -61.066 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: -87.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -931.432703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.432703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.432703 (E_RNA) where: Base-Base interactions energy: -641.569 where: short stacking energy: -272.128 Base-Backbone interact. energy: -0.032 local terms energy: -289.831152 where: bonds (distance) C4'-P energy: -55.615 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -58.642 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -69.640 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: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -831.018583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.018583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.018583 (E_RNA) where: Base-Base interactions energy: -573.392 where: short stacking energy: -254.570 Base-Backbone interact. energy: 2.168 local terms energy: -259.794299 where: bonds (distance) C4'-P energy: -50.415 bonds (distance) P-C4' energy: -46.603 flat angles C4'-P-C4' energy: -67.717 flat angles P-C4'-P energy: -37.756 tors. eta vs tors. theta energy: -57.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -804.798757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.798757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.798757 (E_RNA) where: Base-Base interactions energy: -542.623 where: short stacking energy: -249.828 Base-Backbone interact. energy: 1.431 local terms energy: -263.606778 where: bonds (distance) C4'-P energy: -47.973 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -62.322 flat angles P-C4'-P energy: -23.881 tors. eta vs tors. theta energy: -65.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -657.253078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.253078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.253078 (E_RNA) where: Base-Base interactions energy: -423.575 where: short stacking energy: -182.966 Base-Backbone interact. energy: 3.868 local terms energy: -237.545592 where: bonds (distance) C4'-P energy: -53.773 bonds (distance) P-C4' energy: -57.197 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -35.147 tors. eta vs tors. theta energy: -32.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -612.202085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.202085 (E_RNA) where: Base-Base interactions energy: -393.325 where: short stacking energy: -191.824 Base-Backbone interact. energy: -0.407 local terms energy: -218.470330 where: bonds (distance) C4'-P energy: -48.635 bonds (distance) P-C4' energy: -55.968 flat angles C4'-P-C4' energy: -47.299 flat angles P-C4'-P energy: -24.502 tors. eta vs tors. theta energy: -42.067 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: 214 Temperature: 0.900000 Total energy: -1133.788803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.788803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.788803 (E_RNA) where: Base-Base interactions energy: -790.793 where: short stacking energy: -333.071 Base-Backbone interact. energy: -0.382 local terms energy: -342.613570 where: bonds (distance) C4'-P energy: -64.534 bonds (distance) P-C4' energy: -66.342 flat angles C4'-P-C4' energy: -73.713 flat angles P-C4'-P energy: -44.334 tors. eta vs tors. theta energy: -93.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1131.807012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.807012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.807012 (E_RNA) where: Base-Base interactions energy: -789.700 where: short stacking energy: -352.665 Base-Backbone interact. energy: -0.758 local terms energy: -341.349656 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -60.210 flat angles C4'-P-C4' energy: -69.591 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -103.085 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: 214 Temperature: 1.000000 Total energy: -1076.968548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.968548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.968548 (E_RNA) where: Base-Base interactions energy: -743.632 where: short stacking energy: -329.972 Base-Backbone interact. energy: -2.249 local terms energy: -331.088053 where: bonds (distance) C4'-P energy: -60.724 bonds (distance) P-C4' energy: -64.570 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -35.688 tors. eta vs tors. theta energy: -98.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1035.481973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.481973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.481973 (E_RNA) where: Base-Base interactions energy: -728.213 where: short stacking energy: -320.419 Base-Backbone interact. energy: -0.655 local terms energy: -306.613333 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -55.824 flat angles C4'-P-C4' energy: -64.709 flat angles P-C4'-P energy: -37.664 tors. eta vs tors. theta energy: -88.805 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: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -956.255186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.255186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.255186 (E_RNA) where: Base-Base interactions energy: -646.804 where: short stacking energy: -291.029 Base-Backbone interact. energy: -0.270 local terms energy: -309.181553 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -56.244 flat angles C4'-P-C4' energy: -64.867 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -83.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -909.385728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.385728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.385728 (E_RNA) where: Base-Base interactions energy: -630.402 where: short stacking energy: -284.894 Base-Backbone interact. energy: 2.819 local terms energy: -281.803117 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -52.504 flat angles C4'-P-C4' energy: -59.803 flat angles P-C4'-P energy: -39.914 tors. eta vs tors. theta energy: -69.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -815.622016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.622016 (E_RNA) where: Base-Base interactions energy: -547.894 where: short stacking energy: -243.738 Base-Backbone interact. energy: -0.635 local terms energy: -267.093187 where: bonds (distance) C4'-P energy: -60.008 bonds (distance) P-C4' energy: -58.649 flat angles C4'-P-C4' energy: -47.547 flat angles P-C4'-P energy: -33.666 tors. eta vs tors. theta energy: -67.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -801.532572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.532572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.532572 (E_RNA) where: Base-Base interactions energy: -541.451 where: short stacking energy: -231.446 Base-Backbone interact. energy: -0.705 local terms energy: -259.376785 where: bonds (distance) C4'-P energy: -50.901 bonds (distance) P-C4' energy: -54.381 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -42.727 tors. eta vs tors. theta energy: -49.908 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: 214 Temperature: 1.300000 Total energy: -648.800203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.800203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.800203 (E_RNA) where: Base-Base interactions energy: -416.632 where: short stacking energy: -193.300 Base-Backbone interact. energy: 0.878 local terms energy: -233.045940 where: bonds (distance) C4'-P energy: -54.929 bonds (distance) P-C4' energy: -50.914 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -32.960 tors. eta vs tors. theta energy: -37.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -640.746692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.746692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.746692 (E_RNA) where: Base-Base interactions energy: -463.255 where: short stacking energy: -181.216 Base-Backbone interact. energy: 1.264 local terms energy: -178.755957 where: bonds (distance) C4'-P energy: -52.380 bonds (distance) P-C4' energy: -41.807 flat angles C4'-P-C4' energy: -27.893 flat angles P-C4'-P energy: -25.353 tors. eta vs tors. theta energy: -31.323 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: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1134.990586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.990586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.990586 (E_RNA) where: Base-Base interactions energy: -785.505 where: short stacking energy: -350.757 Base-Backbone interact. energy: -0.913 local terms energy: -348.572041 where: bonds (distance) C4'-P energy: -64.690 bonds (distance) P-C4' energy: -66.612 flat angles C4'-P-C4' energy: -71.112 flat angles P-C4'-P energy: -43.509 tors. eta vs tors. theta energy: -102.649 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: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1130.144985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.144985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.144985 (E_RNA) where: Base-Base interactions energy: -781.624 where: short stacking energy: -352.681 Base-Backbone interact. energy: 0.743 local terms energy: -349.264162 where: bonds (distance) C4'-P energy: -57.894 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -72.000 flat angles P-C4'-P energy: -55.064 tors. eta vs tors. theta energy: -102.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1071.762288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.762288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.762288 (E_RNA) where: Base-Base interactions energy: -744.000 where: short stacking energy: -325.207 Base-Backbone interact. energy: -1.971 local terms energy: -325.791276 where: bonds (distance) C4'-P energy: -60.640 bonds (distance) P-C4' energy: -64.461 flat angles C4'-P-C4' energy: -68.685 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: -92.307 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1035.199074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.199074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.199074 (E_RNA) where: Base-Base interactions energy: -708.522 where: short stacking energy: -321.219 Base-Backbone interact. energy: -1.594 local terms energy: -325.083051 where: bonds (distance) C4'-P energy: -51.985 bonds (distance) P-C4' energy: -66.869 flat angles C4'-P-C4' energy: -67.951 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -88.490 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: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -951.187491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.187491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.187491 (E_RNA) where: Base-Base interactions energy: -652.018 where: short stacking energy: -310.294 Base-Backbone interact. energy: -0.838 local terms energy: -298.330920 where: bonds (distance) C4'-P energy: -55.091 bonds (distance) P-C4' energy: -61.824 flat angles C4'-P-C4' energy: -60.353 flat angles P-C4'-P energy: -32.934 tors. eta vs tors. theta energy: -88.130 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: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -912.741940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.741940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.741940 (E_RNA) where: Base-Base interactions energy: -632.842 where: short stacking energy: -260.097 Base-Backbone interact. energy: -0.840 local terms energy: -279.060578 where: bonds (distance) C4'-P energy: -56.961 bonds (distance) P-C4' energy: -53.259 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -45.299 tors. eta vs tors. theta energy: -54.883 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: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -797.687542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.687542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.687542 (E_RNA) where: Base-Base interactions energy: -531.875 where: short stacking energy: -248.586 Base-Backbone interact. energy: -1.664 local terms energy: -264.147952 where: bonds (distance) C4'-P energy: -55.362 bonds (distance) P-C4' energy: -49.712 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -41.455 tors. eta vs tors. theta energy: -48.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -823.863229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.863229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.863229 (E_RNA) where: Base-Base interactions energy: -559.640 where: short stacking energy: -239.651 Base-Backbone interact. energy: -1.482 local terms energy: -262.741339 where: bonds (distance) C4'-P energy: -43.326 bonds (distance) P-C4' energy: -63.578 flat angles C4'-P-C4' energy: -66.416 flat angles P-C4'-P energy: -26.410 tors. eta vs tors. theta energy: -63.010 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: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -659.863350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.863350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.863350 (E_RNA) where: Base-Base interactions energy: -436.565 where: short stacking energy: -215.515 Base-Backbone interact. energy: -1.145 local terms energy: -222.153754 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -37.671 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -31.620 tors. eta vs tors. theta energy: -40.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -616.719193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.719193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.719193 (E_RNA) where: Base-Base interactions energy: -418.685 where: short stacking energy: -179.719 Base-Backbone interact. energy: 3.098 local terms energy: -201.132707 where: bonds (distance) C4'-P energy: -48.020 bonds (distance) P-C4' energy: -40.561 flat angles C4'-P-C4' energy: -53.486 flat angles P-C4'-P energy: -31.236 tors. eta vs tors. theta energy: -27.829 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: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1134.826471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.826471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.826471 (E_RNA) where: Base-Base interactions energy: -787.564 where: short stacking energy: -369.750 Base-Backbone interact. energy: -1.387 local terms energy: -345.875515 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -61.412 flat angles C4'-P-C4' energy: -74.568 flat angles P-C4'-P energy: -43.447 tors. eta vs tors. theta energy: -101.225 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: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1106.054211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.054211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.054211 (E_RNA) where: Base-Base interactions energy: -776.053 where: short stacking energy: -333.417 Base-Backbone interact. energy: -1.244 local terms energy: -328.757805 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -74.356 flat angles P-C4'-P energy: -42.561 tors. eta vs tors. theta energy: -89.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1081.552792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.552792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.552792 (E_RNA) where: Base-Base interactions energy: -743.646 where: short stacking energy: -309.823 Base-Backbone interact. energy: -1.362 local terms energy: -336.544858 where: bonds (distance) C4'-P energy: -70.146 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -62.858 flat angles P-C4'-P energy: -44.494 tors. eta vs tors. theta energy: -97.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1015.256670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.256670 (E_RNA) where: Base-Base interactions energy: -696.442 where: short stacking energy: -315.343 Base-Backbone interact. energy: 2.614 local terms energy: -321.428851 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -67.914 flat angles C4'-P-C4' energy: -64.694 flat angles P-C4'-P energy: -47.585 tors. eta vs tors. theta energy: -87.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -962.540852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.540852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.540852 (E_RNA) where: Base-Base interactions energy: -661.987 where: short stacking energy: -305.405 Base-Backbone interact. energy: 1.458 local terms energy: -302.011833 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -50.927 flat angles C4'-P-C4' energy: -64.705 flat angles P-C4'-P energy: -44.461 tors. eta vs tors. theta energy: -89.894 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: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -913.582247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.582247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.582247 (E_RNA) where: Base-Base interactions energy: -634.902 where: short stacking energy: -282.074 Base-Backbone interact. energy: 1.946 local terms energy: -280.625943 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -52.745 flat angles C4'-P-C4' energy: -61.375 flat angles P-C4'-P energy: -34.463 tors. eta vs tors. theta energy: -72.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -836.054850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.054850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.054850 (E_RNA) where: Base-Base interactions energy: -560.722 where: short stacking energy: -252.842 Base-Backbone interact. energy: -0.554 local terms energy: -274.778705 where: bonds (distance) C4'-P energy: -54.996 bonds (distance) P-C4' energy: -61.446 flat angles C4'-P-C4' energy: -66.666 flat angles P-C4'-P energy: -29.481 tors. eta vs tors. theta energy: -62.190 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: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -744.084752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.084752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.084752 (E_RNA) where: Base-Base interactions energy: -502.980 where: short stacking energy: -232.897 Base-Backbone interact. energy: -0.651 local terms energy: -240.453634 where: bonds (distance) C4'-P energy: -54.134 bonds (distance) P-C4' energy: -50.731 flat angles C4'-P-C4' energy: -44.998 flat angles P-C4'-P energy: -36.378 tors. eta vs tors. theta energy: -54.213 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: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -742.809666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.809666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.809666 (E_RNA) where: Base-Base interactions energy: -504.858 where: short stacking energy: -211.993 Base-Backbone interact. energy: -1.082 local terms energy: -236.869800 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -53.625 flat angles C4'-P-C4' energy: -52.127 flat angles P-C4'-P energy: -32.024 tors. eta vs tors. theta energy: -51.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -661.204778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.204778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.204778 (E_RNA) where: Base-Base interactions energy: -458.192 where: short stacking energy: -194.848 Base-Backbone interact. energy: -0.658 local terms energy: -202.354630 where: bonds (distance) C4'-P energy: -36.717 bonds (distance) P-C4' energy: -36.349 flat angles C4'-P-C4' energy: -61.702 flat angles P-C4'-P energy: -35.099 tors. eta vs tors. theta energy: -32.487 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: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1137.311307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.311307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.311307 (E_RNA) where: Base-Base interactions energy: -780.844 where: short stacking energy: -355.769 Base-Backbone interact. energy: -2.477 local terms energy: -353.990405 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -72.175 flat angles C4'-P-C4' energy: -79.019 flat angles P-C4'-P energy: -37.196 tors. eta vs tors. theta energy: -103.777 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: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1132.236268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.236268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.236268 (E_RNA) where: Base-Base interactions energy: -780.113 where: short stacking energy: -332.768 Base-Backbone interact. energy: -3.423 local terms energy: -348.700742 where: bonds (distance) C4'-P energy: -65.021 bonds (distance) P-C4' energy: -69.699 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -47.186 tors. eta vs tors. theta energy: -94.388 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: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1093.097457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.097457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.097457 (E_RNA) where: Base-Base interactions energy: -754.560 where: short stacking energy: -350.319 Base-Backbone interact. energy: -2.373 local terms energy: -336.164534 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -70.928 flat angles P-C4'-P energy: -39.630 tors. eta vs tors. theta energy: -102.575 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: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1039.733454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.733454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.733454 (E_RNA) where: Base-Base interactions energy: -705.278 where: short stacking energy: -322.841 Base-Backbone interact. energy: -0.765 local terms energy: -333.690312 where: bonds (distance) C4'-P energy: -57.479 bonds (distance) P-C4' energy: -64.844 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -94.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -935.767422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.767422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.767422 (E_RNA) where: Base-Base interactions energy: -640.775 where: short stacking energy: -295.998 Base-Backbone interact. energy: -0.198 local terms energy: -294.794718 where: bonds (distance) C4'-P energy: -56.666 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -62.134 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -74.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -899.943162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.943162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.943162 (E_RNA) where: Base-Base interactions energy: -604.593 where: short stacking energy: -282.604 Base-Backbone interact. energy: -1.104 local terms energy: -294.246180 where: bonds (distance) C4'-P energy: -55.753 bonds (distance) P-C4' energy: -67.367 flat angles C4'-P-C4' energy: -65.317 flat angles P-C4'-P energy: -38.444 tors. eta vs tors. theta energy: -67.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -858.978050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.978050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.978050 (E_RNA) where: Base-Base interactions energy: -574.734 where: short stacking energy: -254.929 Base-Backbone interact. energy: 4.233 local terms energy: -288.476805 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -57.345 flat angles C4'-P-C4' energy: -67.409 flat angles P-C4'-P energy: -43.898 tors. eta vs tors. theta energy: -67.661 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: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -834.263758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.263758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.263758 (E_RNA) where: Base-Base interactions energy: -565.081 where: short stacking energy: -236.938 Base-Backbone interact. energy: -1.376 local terms energy: -267.807483 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -48.497 flat angles C4'-P-C4' energy: -56.477 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: -65.361 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: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -641.708676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.708676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.708676 (E_RNA) where: Base-Base interactions energy: -423.828 where: short stacking energy: -180.860 Base-Backbone interact. energy: -0.192 local terms energy: -217.688654 where: bonds (distance) C4'-P energy: -49.874 bonds (distance) P-C4' energy: -47.644 flat angles C4'-P-C4' energy: -52.240 flat angles P-C4'-P energy: -26.139 tors. eta vs tors. theta energy: -41.791 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: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -637.190063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.190063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.190063 (E_RNA) where: Base-Base interactions energy: -434.186 where: short stacking energy: -184.388 Base-Backbone interact. energy: -1.988 local terms energy: -201.016309 where: bonds (distance) C4'-P energy: -46.248 bonds (distance) P-C4' energy: -50.426 flat angles C4'-P-C4' energy: -48.666 flat angles P-C4'-P energy: -24.414 tors. eta vs tors. theta energy: -31.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1142.875128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.875128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.875128 (E_RNA) where: Base-Base interactions energy: -801.671 where: short stacking energy: -346.693 Base-Backbone interact. energy: -0.807 local terms energy: -340.397019 where: bonds (distance) C4'-P energy: -64.685 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -65.193 flat angles P-C4'-P energy: -53.368 tors. eta vs tors. theta energy: -92.682 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: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1103.540757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.540757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.540757 (E_RNA) where: Base-Base interactions energy: -767.840 where: short stacking energy: -353.887 Base-Backbone interact. energy: -1.191 local terms energy: -334.509763 where: bonds (distance) C4'-P energy: -55.001 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -46.552 tors. eta vs tors. theta energy: -95.423 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: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1080.758000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.758000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.758000 (E_RNA) where: Base-Base interactions energy: -736.696 where: short stacking energy: -331.192 Base-Backbone interact. energy: -1.773 local terms energy: -342.289158 where: bonds (distance) C4'-P energy: -56.917 bonds (distance) P-C4' energy: -68.729 flat angles C4'-P-C4' energy: -74.055 flat angles P-C4'-P energy: -45.636 tors. eta vs tors. theta energy: -96.951 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: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1053.163710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.163710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.163710 (E_RNA) where: Base-Base interactions energy: -732.894 where: short stacking energy: -329.875 Base-Backbone interact. energy: -2.147 local terms energy: -318.122660 where: bonds (distance) C4'-P energy: -57.238 bonds (distance) P-C4' energy: -66.895 flat angles C4'-P-C4' energy: -65.021 flat angles P-C4'-P energy: -37.768 tors. eta vs tors. theta energy: -91.201 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: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -956.383636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.383636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.383636 (E_RNA) where: Base-Base interactions energy: -658.046 where: short stacking energy: -293.318 Base-Backbone interact. energy: -1.410 local terms energy: -296.928067 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -60.239 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: -79.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -883.726704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.726704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.726704 (E_RNA) where: Base-Base interactions energy: -624.668 where: short stacking energy: -280.386 Base-Backbone interact. energy: -0.472 local terms energy: -258.585798 where: bonds (distance) C4'-P energy: -46.630 bonds (distance) P-C4' energy: -50.561 flat angles C4'-P-C4' energy: -63.856 flat angles P-C4'-P energy: -36.391 tors. eta vs tors. theta energy: -61.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -823.815802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.815802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.815802 (E_RNA) where: Base-Base interactions energy: -551.930 where: short stacking energy: -248.752 Base-Backbone interact. energy: 2.380 local terms energy: -274.266024 where: bonds (distance) C4'-P energy: -51.220 bonds (distance) P-C4' energy: -67.277 flat angles C4'-P-C4' energy: -60.263 flat angles P-C4'-P energy: -30.998 tors. eta vs tors. theta energy: -64.508 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: 8, replica: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -811.439279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.439279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.439279 (E_RNA) where: Base-Base interactions energy: -558.608 where: short stacking energy: -255.013 Base-Backbone interact. energy: 0.750 local terms energy: -253.581554 where: bonds (distance) C4'-P energy: -40.725 bonds (distance) P-C4' energy: -49.152 flat angles C4'-P-C4' energy: -57.167 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -62.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -678.938781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.938781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.938781 (E_RNA) where: Base-Base interactions energy: -447.647 where: short stacking energy: -219.574 Base-Backbone interact. energy: -1.000 local terms energy: -230.291288 where: bonds (distance) C4'-P energy: -53.255 bonds (distance) P-C4' energy: -60.870 flat angles C4'-P-C4' energy: -40.155 flat angles P-C4'-P energy: -29.506 tors. eta vs tors. theta energy: -46.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -675.258900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.258900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.258900 (E_RNA) where: Base-Base interactions energy: -445.868 where: short stacking energy: -198.831 Base-Backbone interact. energy: 0.692 local terms energy: -230.083219 where: bonds (distance) C4'-P energy: -55.449 bonds (distance) P-C4' energy: -47.948 flat angles C4'-P-C4' energy: -56.777 flat angles P-C4'-P energy: -28.277 tors. eta vs tors. theta energy: -41.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1152.939216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.939216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.939216 (E_RNA) where: Base-Base interactions energy: -810.319 where: short stacking energy: -352.923 Base-Backbone interact. energy: -1.739 local terms energy: -340.882116 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -64.344 flat angles C4'-P-C4' energy: -69.520 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -99.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1117.484696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.484696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.484696 (E_RNA) where: Base-Base interactions energy: -769.522 where: short stacking energy: -347.242 Base-Backbone interact. energy: 0.689 local terms energy: -348.651464 where: bonds (distance) C4'-P energy: -70.931 bonds (distance) P-C4' energy: -54.769 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -44.269 tors. eta vs tors. theta energy: -101.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1075.052226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.052226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.052226 (E_RNA) where: Base-Base interactions energy: -737.313 where: short stacking energy: -324.713 Base-Backbone interact. energy: -1.209 local terms energy: -336.530079 where: bonds (distance) C4'-P energy: -51.171 bonds (distance) P-C4' energy: -67.138 flat angles C4'-P-C4' energy: -69.470 flat angles P-C4'-P energy: -55.184 tors. eta vs tors. theta energy: -93.568 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: 219 Temperature: 1.050000 Total energy: -1027.931522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.931522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.931522 (E_RNA) where: Base-Base interactions energy: -718.508 where: short stacking energy: -305.944 Base-Backbone interact. energy: -3.231 local terms energy: -306.192792 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -65.781 flat angles P-C4'-P energy: -40.462 tors. eta vs tors. theta energy: -83.351 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: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -916.834077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.834077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.834077 (E_RNA) where: Base-Base interactions energy: -608.292 where: short stacking energy: -265.754 Base-Backbone interact. energy: 0.208 local terms energy: -308.750040 where: bonds (distance) C4'-P energy: -55.146 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -64.380 flat angles P-C4'-P energy: -51.629 tors. eta vs tors. theta energy: -78.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -883.189921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.189921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.189921 (E_RNA) where: Base-Base interactions energy: -618.423 where: short stacking energy: -255.376 Base-Backbone interact. energy: 0.234 local terms energy: -265.001621 where: bonds (distance) C4'-P energy: -42.352 bonds (distance) P-C4' energy: -59.835 flat angles C4'-P-C4' energy: -61.296 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: -62.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -846.849387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.849387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.849387 (E_RNA) where: Base-Base interactions energy: -564.665 where: short stacking energy: -260.415 Base-Backbone interact. energy: -1.009 local terms energy: -281.175416 where: bonds (distance) C4'-P energy: -53.499 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -57.780 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: -71.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -811.693057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.693057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.693057 (E_RNA) where: Base-Base interactions energy: -547.934 where: short stacking energy: -231.712 Base-Backbone interact. energy: -0.193 local terms energy: -263.565981 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -54.789 flat angles C4'-P-C4' energy: -53.234 flat angles P-C4'-P energy: -42.666 tors. eta vs tors. theta energy: -56.945 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: 219 Temperature: 1.300000 Total energy: -657.393832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.393832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.393832 (E_RNA) where: Base-Base interactions energy: -409.616 where: short stacking energy: -203.156 Base-Backbone interact. energy: -1.846 local terms energy: -245.931027 where: bonds (distance) C4'-P energy: -46.554 bonds (distance) P-C4' energy: -46.238 flat angles C4'-P-C4' energy: -57.272 flat angles P-C4'-P energy: -47.725 tors. eta vs tors. theta energy: -48.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -694.970184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.970184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.970184 (E_RNA) where: Base-Base interactions energy: -480.692 where: short stacking energy: -199.243 Base-Backbone interact. energy: -1.115 local terms energy: -213.163263 where: bonds (distance) C4'-P energy: -43.970 bonds (distance) P-C4' energy: -49.721 flat angles C4'-P-C4' energy: -50.320 flat angles P-C4'-P energy: -27.173 tors. eta vs tors. theta energy: -41.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1160.209938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.209938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.209938 (E_RNA) where: Base-Base interactions energy: -817.477 where: short stacking energy: -353.015 Base-Backbone interact. energy: -2.069 local terms energy: -340.663627 where: bonds (distance) C4'-P energy: -64.197 bonds (distance) P-C4' energy: -57.889 flat angles C4'-P-C4' energy: -70.044 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: -100.419 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: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1109.186755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.186755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.186755 (E_RNA) where: Base-Base interactions energy: -771.440 where: short stacking energy: -349.994 Base-Backbone interact. energy: -1.151 local terms energy: -336.595309 where: bonds (distance) C4'-P energy: -49.139 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -66.048 flat angles P-C4'-P energy: -55.949 tors. eta vs tors. theta energy: -99.922 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: 220 Temperature: 1.000000 Total energy: -1053.298719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.298719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.298719 (E_RNA) where: Base-Base interactions energy: -735.558 where: short stacking energy: -316.631 Base-Backbone interact. energy: -0.824 local terms energy: -316.917159 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -63.257 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -86.772 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: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1030.492294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.492294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.492294 (E_RNA) where: Base-Base interactions energy: -709.946 where: short stacking energy: -316.054 Base-Backbone interact. energy: -0.114 local terms energy: -320.431492 where: bonds (distance) C4'-P energy: -58.959 bonds (distance) P-C4' energy: -57.743 flat angles C4'-P-C4' energy: -65.100 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: -97.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -940.027789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.027789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.027789 (E_RNA) where: Base-Base interactions energy: -629.867 where: short stacking energy: -287.073 Base-Backbone interact. energy: -0.797 local terms energy: -309.363769 where: bonds (distance) C4'-P energy: -54.620 bonds (distance) P-C4' energy: -53.822 flat angles C4'-P-C4' energy: -68.899 flat angles P-C4'-P energy: -43.757 tors. eta vs tors. theta energy: -88.267 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: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -908.993396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.993396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.993396 (E_RNA) where: Base-Base interactions energy: -616.426 where: short stacking energy: -274.123 Base-Backbone interact. energy: -1.969 local terms energy: -290.597812 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -56.858 flat angles C4'-P-C4' energy: -60.734 flat angles P-C4'-P energy: -37.593 tors. eta vs tors. theta energy: -75.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -833.481398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.481398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.481398 (E_RNA) where: Base-Base interactions energy: -585.584 where: short stacking energy: -256.671 Base-Backbone interact. energy: -0.863 local terms energy: -247.034264 where: bonds (distance) C4'-P energy: -46.609 bonds (distance) P-C4' energy: -46.010 flat angles C4'-P-C4' energy: -60.464 flat angles P-C4'-P energy: -34.071 tors. eta vs tors. theta energy: -59.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -808.340136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.340136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.340136 (E_RNA) where: Base-Base interactions energy: -539.654 where: short stacking energy: -249.770 Base-Backbone interact. energy: -0.120 local terms energy: -268.566137 where: bonds (distance) C4'-P energy: -47.550 bonds (distance) P-C4' energy: -54.263 flat angles C4'-P-C4' energy: -64.178 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -63.037 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: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -764.597293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.597293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.597293 (E_RNA) where: Base-Base interactions energy: -528.682 where: short stacking energy: -214.613 Base-Backbone interact. energy: -1.461 local terms energy: -234.453369 where: bonds (distance) C4'-P energy: -47.679 bonds (distance) P-C4' energy: -45.564 flat angles C4'-P-C4' energy: -62.418 flat angles P-C4'-P energy: -38.491 tors. eta vs tors. theta energy: -40.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -580.354787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.354787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.354787 (E_RNA) where: Base-Base interactions energy: -354.189 where: short stacking energy: -191.618 Base-Backbone interact. energy: 0.703 local terms energy: -226.869125 where: bonds (distance) C4'-P energy: -45.118 bonds (distance) P-C4' energy: -55.270 flat angles C4'-P-C4' energy: -56.422 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: -37.825 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: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1157.919080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.919080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.919080 (E_RNA) where: Base-Base interactions energy: -801.648 where: short stacking energy: -352.772 Base-Backbone interact. energy: -0.793 local terms energy: -355.478713 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -71.348 flat angles C4'-P-C4' energy: -70.468 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: -96.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1102.425832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.425832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.425832 (E_RNA) where: Base-Base interactions energy: -760.942 where: short stacking energy: -354.080 Base-Backbone interact. energy: -0.369 local terms energy: -341.114077 where: bonds (distance) C4'-P energy: -60.103 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: -98.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1063.557965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.557965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.557965 (E_RNA) where: Base-Base interactions energy: -744.635 where: short stacking energy: -322.857 Base-Backbone interact. energy: -1.211 local terms energy: -317.712419 where: bonds (distance) C4'-P energy: -57.710 bonds (distance) P-C4' energy: -55.045 flat angles C4'-P-C4' energy: -76.187 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -91.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1039.860202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.860202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.860202 (E_RNA) where: Base-Base interactions energy: -709.122 where: short stacking energy: -326.819 Base-Backbone interact. energy: -0.928 local terms energy: -329.810051 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -57.199 flat angles C4'-P-C4' energy: -68.743 flat angles P-C4'-P energy: -49.015 tors. eta vs tors. theta energy: -95.433 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: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -948.128273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.128273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.128273 (E_RNA) where: Base-Base interactions energy: -636.011 where: short stacking energy: -300.765 Base-Backbone interact. energy: -1.026 local terms energy: -311.090548 where: bonds (distance) C4'-P energy: -65.901 bonds (distance) P-C4' energy: -56.612 flat angles C4'-P-C4' energy: -60.056 flat angles P-C4'-P energy: -46.162 tors. eta vs tors. theta energy: -82.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -907.480214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.480214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.480214 (E_RNA) where: Base-Base interactions energy: -623.152 where: short stacking energy: -280.762 Base-Backbone interact. energy: 1.932 local terms energy: -286.260551 where: bonds (distance) C4'-P energy: -50.998 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -61.346 flat angles P-C4'-P energy: -42.225 tors. eta vs tors. theta energy: -68.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -823.702883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.702883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.702883 (E_RNA) where: Base-Base interactions energy: -549.365 where: short stacking energy: -244.511 Base-Backbone interact. energy: 0.343 local terms energy: -274.681794 where: bonds (distance) C4'-P energy: -58.507 bonds (distance) P-C4' energy: -59.076 flat angles C4'-P-C4' energy: -55.582 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -58.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -793.635842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.635842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.635842 (E_RNA) where: Base-Base interactions energy: -547.990 where: short stacking energy: -233.849 Base-Backbone interact. energy: -2.191 local terms energy: -243.454736 where: bonds (distance) C4'-P energy: -46.472 bonds (distance) P-C4' energy: -56.994 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -38.970 tors. eta vs tors. theta energy: -48.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -773.903969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.903969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.903969 (E_RNA) where: Base-Base interactions energy: -513.366 where: short stacking energy: -216.835 Base-Backbone interact. energy: -1.326 local terms energy: -259.212220 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -56.797 flat angles C4'-P-C4' energy: -55.167 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: -50.664 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: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -536.220222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.220222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.220222 (E_RNA) where: Base-Base interactions energy: -343.750 where: short stacking energy: -152.394 Base-Backbone interact. energy: 0.006 local terms energy: -192.476642 where: bonds (distance) C4'-P energy: -43.045 bonds (distance) P-C4' energy: -47.157 flat angles C4'-P-C4' energy: -44.962 flat angles P-C4'-P energy: -29.443 tors. eta vs tors. theta energy: -27.870 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: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1152.042078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.042078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.042078 (E_RNA) where: Base-Base interactions energy: -788.780 where: short stacking energy: -349.226 Base-Backbone interact. energy: -2.312 local terms energy: -360.949421 where: bonds (distance) C4'-P energy: -67.738 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -99.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1090.475541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.475541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.475541 (E_RNA) where: Base-Base interactions energy: -761.198 where: short stacking energy: -347.465 Base-Backbone interact. energy: -1.578 local terms energy: -327.699660 where: bonds (distance) C4'-P energy: -51.331 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -52.237 tors. eta vs tors. theta energy: -96.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1046.637628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.637628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.637628 (E_RNA) where: Base-Base interactions energy: -710.558 where: short stacking energy: -329.429 Base-Backbone interact. energy: -1.261 local terms energy: -334.818592 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -67.652 flat angles P-C4'-P energy: -46.817 tors. eta vs tors. theta energy: -99.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1036.985682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.985682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.985682 (E_RNA) where: Base-Base interactions energy: -739.019 where: short stacking energy: -294.066 Base-Backbone interact. energy: -1.728 local terms energy: -296.238970 where: bonds (distance) C4'-P energy: -57.908 bonds (distance) P-C4' energy: -50.012 flat angles C4'-P-C4' energy: -71.385 flat angles P-C4'-P energy: -37.872 tors. eta vs tors. theta energy: -79.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -927.114678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.114678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.114678 (E_RNA) where: Base-Base interactions energy: -654.959 where: short stacking energy: -280.759 Base-Backbone interact. energy: -0.766 local terms energy: -271.389615 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -55.489 flat angles C4'-P-C4' energy: -53.125 flat angles P-C4'-P energy: -34.005 tors. eta vs tors. theta energy: -69.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -926.452862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.452862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.452862 (E_RNA) where: Base-Base interactions energy: -634.639 where: short stacking energy: -292.154 Base-Backbone interact. energy: -0.104 local terms energy: -291.710577 where: bonds (distance) C4'-P energy: -54.016 bonds (distance) P-C4' energy: -47.301 flat angles C4'-P-C4' energy: -64.325 flat angles P-C4'-P energy: -42.343 tors. eta vs tors. theta energy: -83.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -775.704534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.704534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.704534 (E_RNA) where: Base-Base interactions energy: -515.920 where: short stacking energy: -225.060 Base-Backbone interact. energy: -1.330 local terms energy: -258.454365 where: bonds (distance) C4'-P energy: -61.892 bonds (distance) P-C4' energy: -55.237 flat angles C4'-P-C4' energy: -60.371 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -40.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -836.970455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.970455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.970455 (E_RNA) where: Base-Base interactions energy: -566.846 where: short stacking energy: -258.284 Base-Backbone interact. energy: 1.553 local terms energy: -271.678091 where: bonds (distance) C4'-P energy: -55.303 bonds (distance) P-C4' energy: -55.395 flat angles C4'-P-C4' energy: -57.471 flat angles P-C4'-P energy: -38.951 tors. eta vs tors. theta energy: -64.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -779.362591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.362591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.362591 (E_RNA) where: Base-Base interactions energy: -521.495 where: short stacking energy: -220.251 Base-Backbone interact. energy: -0.337 local terms energy: -257.531060 where: bonds (distance) C4'-P energy: -54.777 bonds (distance) P-C4' energy: -60.206 flat angles C4'-P-C4' energy: -65.152 flat angles P-C4'-P energy: -25.416 tors. eta vs tors. theta energy: -51.980 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: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -532.608634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.608634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.608634 (E_RNA) where: Base-Base interactions energy: -314.799 where: short stacking energy: -162.653 Base-Backbone interact. energy: -0.384 local terms energy: -217.426054 where: bonds (distance) C4'-P energy: -57.593 bonds (distance) P-C4' energy: -54.867 flat angles C4'-P-C4' energy: -47.358 flat angles P-C4'-P energy: -30.828 tors. eta vs tors. theta energy: -26.780 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: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1162.482995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.482995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.482995 (E_RNA) where: Base-Base interactions energy: -800.115 where: short stacking energy: -355.559 Base-Backbone interact. energy: -1.106 local terms energy: -361.261347 where: bonds (distance) C4'-P energy: -66.563 bonds (distance) P-C4' energy: -70.982 flat angles C4'-P-C4' energy: -74.921 flat angles P-C4'-P energy: -49.999 tors. eta vs tors. theta energy: -98.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1086.567980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.567980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.567980 (E_RNA) where: Base-Base interactions energy: -758.940 where: short stacking energy: -348.062 Base-Backbone interact. energy: -0.998 local terms energy: -326.629668 where: bonds (distance) C4'-P energy: -58.964 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -66.865 flat angles P-C4'-P energy: -43.605 tors. eta vs tors. theta energy: -95.690 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: 223 Temperature: 1.000000 Total energy: -1064.198793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.198793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.198793 (E_RNA) where: Base-Base interactions energy: -736.934 where: short stacking energy: -327.942 Base-Backbone interact. energy: -1.015 local terms energy: -326.249578 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -53.503 flat angles C4'-P-C4' energy: -68.844 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: -95.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1038.988861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.988861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.988861 (E_RNA) where: Base-Base interactions energy: -721.786 where: short stacking energy: -302.833 Base-Backbone interact. energy: -1.195 local terms energy: -316.007723 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -40.335 tors. eta vs tors. theta energy: -84.650 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: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -939.112151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.112151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.112151 (E_RNA) where: Base-Base interactions energy: -654.656 where: short stacking energy: -303.965 Base-Backbone interact. energy: -1.283 local terms energy: -283.173343 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -57.832 flat angles C4'-P-C4' energy: -68.155 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: -74.108 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: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -929.248118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.248118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.248118 (E_RNA) where: Base-Base interactions energy: -631.543 where: short stacking energy: -279.222 Base-Backbone interact. energy: -2.051 local terms energy: -295.654280 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -52.111 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: -78.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -788.267658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.267658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.267658 (E_RNA) where: Base-Base interactions energy: -540.578 where: short stacking energy: -226.740 Base-Backbone interact. energy: 2.111 local terms energy: -249.801098 where: bonds (distance) C4'-P energy: -56.273 bonds (distance) P-C4' energy: -53.393 flat angles C4'-P-C4' energy: -58.441 flat angles P-C4'-P energy: -28.440 tors. eta vs tors. theta energy: -53.253 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: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -814.597953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.597953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.597953 (E_RNA) where: Base-Base interactions energy: -546.937 where: short stacking energy: -250.568 Base-Backbone interact. energy: 1.761 local terms energy: -269.422149 where: bonds (distance) C4'-P energy: -59.760 bonds (distance) P-C4' energy: -52.210 flat angles C4'-P-C4' energy: -57.675 flat angles P-C4'-P energy: -33.059 tors. eta vs tors. theta energy: -66.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -794.160059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.160059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.160059 (E_RNA) where: Base-Base interactions energy: -556.149 where: short stacking energy: -243.532 Base-Backbone interact. energy: -0.645 local terms energy: -237.365491 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -45.897 flat angles C4'-P-C4' energy: -47.496 flat angles P-C4'-P energy: -32.773 tors. eta vs tors. theta energy: -59.598 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: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -576.692967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.692967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.692967 (E_RNA) where: Base-Base interactions energy: -340.457 where: short stacking energy: -166.038 Base-Backbone interact. energy: -1.192 local terms energy: -235.044258 where: bonds (distance) C4'-P energy: -58.350 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -48.918 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: -32.089 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: 224 Temperature: 0.900000 Total energy: -1175.735736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.735736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.735736 (E_RNA) where: Base-Base interactions energy: -810.188 where: short stacking energy: -361.485 Base-Backbone interact. energy: -1.976 local terms energy: -363.571770 where: bonds (distance) C4'-P energy: -64.665 bonds (distance) P-C4' energy: -69.614 flat angles C4'-P-C4' energy: -75.786 flat angles P-C4'-P energy: -54.299 tors. eta vs tors. theta energy: -99.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1091.217252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.217252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.217252 (E_RNA) where: Base-Base interactions energy: -757.726 where: short stacking energy: -345.636 Base-Backbone interact. energy: -0.834 local terms energy: -332.657581 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -59.620 flat angles C4'-P-C4' energy: -63.445 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -102.859 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: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1077.962628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.962628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.962628 (E_RNA) where: Base-Base interactions energy: -751.203 where: short stacking energy: -327.990 Base-Backbone interact. energy: -1.806 local terms energy: -324.952938 where: bonds (distance) C4'-P energy: -55.475 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -67.898 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -96.888 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: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1024.401659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.401659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.401659 (E_RNA) where: Base-Base interactions energy: -711.557 where: short stacking energy: -301.992 Base-Backbone interact. energy: -2.554 local terms energy: -310.291130 where: bonds (distance) C4'-P energy: -64.837 bonds (distance) P-C4' energy: -56.346 flat angles C4'-P-C4' energy: -62.092 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -86.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -949.586318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.586318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.586318 (E_RNA) where: Base-Base interactions energy: -649.273 where: short stacking energy: -291.032 Base-Backbone interact. energy: 1.833 local terms energy: -302.146453 where: bonds (distance) C4'-P energy: -55.920 bonds (distance) P-C4' energy: -66.849 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -38.087 tors. eta vs tors. theta energy: -79.768 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: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -904.292287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.292287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.292287 (E_RNA) where: Base-Base interactions energy: -641.333 where: short stacking energy: -269.080 Base-Backbone interact. energy: -0.768 local terms energy: -262.191329 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -52.163 flat angles C4'-P-C4' energy: -61.897 flat angles P-C4'-P energy: -27.064 tors. eta vs tors. theta energy: -63.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -791.370765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.370765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.370765 (E_RNA) where: Base-Base interactions energy: -536.095 where: short stacking energy: -229.185 Base-Backbone interact. energy: -0.376 local terms energy: -254.899529 where: bonds (distance) C4'-P energy: -54.739 bonds (distance) P-C4' energy: -51.435 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -34.841 tors. eta vs tors. theta energy: -55.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -763.348748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.348748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.348748 (E_RNA) where: Base-Base interactions energy: -533.150 where: short stacking energy: -228.400 Base-Backbone interact. energy: -0.190 local terms energy: -230.008248 where: bonds (distance) C4'-P energy: -52.153 bonds (distance) P-C4' energy: -50.810 flat angles C4'-P-C4' energy: -52.769 flat angles P-C4'-P energy: -24.520 tors. eta vs tors. theta energy: -49.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -839.068480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.068480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.068480 (E_RNA) where: Base-Base interactions energy: -572.419 where: short stacking energy: -251.412 Base-Backbone interact. energy: -0.396 local terms energy: -266.252797 where: bonds (distance) C4'-P energy: -51.933 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -55.347 flat angles P-C4'-P energy: -32.178 tors. eta vs tors. theta energy: -66.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -496.141895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.141895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.141895 (E_RNA) where: Base-Base interactions energy: -319.464 where: short stacking energy: -140.990 Base-Backbone interact. energy: 2.468 local terms energy: -179.146144 where: bonds (distance) C4'-P energy: -35.871 bonds (distance) P-C4' energy: -54.003 flat angles C4'-P-C4' energy: -45.068 flat angles P-C4'-P energy: -34.211 tors. eta vs tors. theta energy: -9.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1152.975842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.975842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.975842 (E_RNA) where: Base-Base interactions energy: -798.545 where: short stacking energy: -339.251 Base-Backbone interact. energy: -3.459 local terms energy: -350.972519 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -63.229 flat angles C4'-P-C4' energy: -68.672 flat angles P-C4'-P energy: -49.070 tors. eta vs tors. theta energy: -99.801 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: 225 Temperature: 0.950000 Total energy: -1070.123864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.123864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.123864 (E_RNA) where: Base-Base interactions energy: -732.212 where: short stacking energy: -322.289 Base-Backbone interact. energy: 0.068 local terms energy: -337.980154 where: bonds (distance) C4'-P energy: -66.047 bonds (distance) P-C4' energy: -68.589 flat angles C4'-P-C4' energy: -63.377 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -89.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1069.583726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.583726 (E_RNA) where: Base-Base interactions energy: -749.697 where: short stacking energy: -312.637 Base-Backbone interact. energy: 4.205 local terms energy: -324.091761 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -64.990 flat angles C4'-P-C4' energy: -64.073 flat angles P-C4'-P energy: -43.770 tors. eta vs tors. theta energy: -93.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1032.864702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.864702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.864702 (E_RNA) where: Base-Base interactions energy: -712.673 where: short stacking energy: -304.998 Base-Backbone interact. energy: -2.802 local terms energy: -317.390098 where: bonds (distance) C4'-P energy: -64.854 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: -87.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -953.642902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.642902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.642902 (E_RNA) where: Base-Base interactions energy: -642.000 where: short stacking energy: -304.413 Base-Backbone interact. energy: -1.064 local terms energy: -310.578431 where: bonds (distance) C4'-P energy: -58.482 bonds (distance) P-C4' energy: -61.351 flat angles C4'-P-C4' energy: -63.048 flat angles P-C4'-P energy: -43.903 tors. eta vs tors. theta energy: -83.794 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: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -885.762695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.762695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.762695 (E_RNA) where: Base-Base interactions energy: -592.103 where: short stacking energy: -267.855 Base-Backbone interact. energy: -0.082 local terms energy: -293.576946 where: bonds (distance) C4'-P energy: -60.623 bonds (distance) P-C4' energy: -51.944 flat angles C4'-P-C4' energy: -74.881 flat angles P-C4'-P energy: -39.351 tors. eta vs tors. theta energy: -66.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -800.333230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.333230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.333230 (E_RNA) where: Base-Base interactions energy: -540.967 where: short stacking energy: -229.322 Base-Backbone interact. energy: -1.668 local terms energy: -257.698012 where: bonds (distance) C4'-P energy: -53.363 bonds (distance) P-C4' energy: -58.124 flat angles C4'-P-C4' energy: -56.346 flat angles P-C4'-P energy: -33.330 tors. eta vs tors. theta energy: -56.536 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: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -762.283588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.283588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.283588 (E_RNA) where: Base-Base interactions energy: -509.043 where: short stacking energy: -230.744 Base-Backbone interact. energy: 1.129 local terms energy: -254.370009 where: bonds (distance) C4'-P energy: -42.912 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -53.090 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: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -748.190434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.190434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.190434 (E_RNA) where: Base-Base interactions energy: -503.626 where: short stacking energy: -211.204 Base-Backbone interact. energy: 0.034 local terms energy: -244.598083 where: bonds (distance) C4'-P energy: -58.443 bonds (distance) P-C4' energy: -61.540 flat angles C4'-P-C4' energy: -53.952 flat angles P-C4'-P energy: -25.291 tors. eta vs tors. theta energy: -45.372 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: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -556.182844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.182844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.182844 (E_RNA) where: Base-Base interactions energy: -360.847 where: short stacking energy: -173.845 Base-Backbone interact. energy: 0.650 local terms energy: -195.985897 where: bonds (distance) C4'-P energy: -53.641 bonds (distance) P-C4' energy: -56.909 flat angles C4'-P-C4' energy: -42.682 flat angles P-C4'-P energy: -17.203 tors. eta vs tors. theta energy: -25.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1152.150825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.150825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.150825 (E_RNA) where: Base-Base interactions energy: -804.037 where: short stacking energy: -356.396 Base-Backbone interact. energy: -1.644 local terms energy: -346.470362 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -67.626 flat angles C4'-P-C4' energy: -74.054 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -96.246 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: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1086.922831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.922831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.922831 (E_RNA) where: Base-Base interactions energy: -742.913 where: short stacking energy: -327.032 Base-Backbone interact. energy: -1.043 local terms energy: -342.966201 where: bonds (distance) C4'-P energy: -66.301 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -97.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1107.874369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.874369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.874369 (E_RNA) where: Base-Base interactions energy: -770.066 where: short stacking energy: -345.073 Base-Backbone interact. energy: -0.900 local terms energy: -336.908153 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -61.128 flat angles C4'-P-C4' energy: -74.226 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -101.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1035.827382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.827382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.827382 (E_RNA) where: Base-Base interactions energy: -730.501 where: short stacking energy: -304.314 Base-Backbone interact. energy: -3.486 local terms energy: -301.840528 where: bonds (distance) C4'-P energy: -44.007 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -68.255 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -81.498 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: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -932.171372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.171372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.171372 (E_RNA) where: Base-Base interactions energy: -647.673 where: short stacking energy: -299.722 Base-Backbone interact. energy: -0.289 local terms energy: -284.209095 where: bonds (distance) C4'-P energy: -45.406 bonds (distance) P-C4' energy: -52.712 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -43.692 tors. eta vs tors. theta energy: -85.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -901.227637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.227637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.227637 (E_RNA) where: Base-Base interactions energy: -607.673 where: short stacking energy: -252.034 Base-Backbone interact. energy: 0.666 local terms energy: -294.220425 where: bonds (distance) C4'-P energy: -62.022 bonds (distance) P-C4' energy: -64.690 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -32.193 tors. eta vs tors. theta energy: -66.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -758.997775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.997775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.997775 (E_RNA) where: Base-Base interactions energy: -520.675 where: short stacking energy: -219.497 Base-Backbone interact. energy: -1.098 local terms energy: -237.224533 where: bonds (distance) C4'-P energy: -57.587 bonds (distance) P-C4' energy: -47.804 flat angles C4'-P-C4' energy: -51.914 flat angles P-C4'-P energy: -28.057 tors. eta vs tors. theta energy: -51.863 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: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -780.230892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.230892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.230892 (E_RNA) where: Base-Base interactions energy: -521.882 where: short stacking energy: -209.092 Base-Backbone interact. energy: -0.054 local terms energy: -258.295091 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -58.243 flat angles C4'-P-C4' energy: -61.137 flat angles P-C4'-P energy: -36.924 tors. eta vs tors. theta energy: -47.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -742.834873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.834873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.834873 (E_RNA) where: Base-Base interactions energy: -511.870 where: short stacking energy: -217.402 Base-Backbone interact. energy: -1.683 local terms energy: -229.282119 where: bonds (distance) C4'-P energy: -53.659 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -53.915 flat angles P-C4'-P energy: -12.790 tors. eta vs tors. theta energy: -44.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -539.796449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.796449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.796449 (E_RNA) where: Base-Base interactions energy: -333.937 where: short stacking energy: -177.463 Base-Backbone interact. energy: 1.181 local terms energy: -207.039822 where: bonds (distance) C4'-P energy: -57.707 bonds (distance) P-C4' energy: -45.414 flat angles C4'-P-C4' energy: -47.096 flat angles P-C4'-P energy: -29.559 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: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1148.078834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.078834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.078834 (E_RNA) where: Base-Base interactions energy: -801.098 where: short stacking energy: -354.423 Base-Backbone interact. energy: -0.059 local terms energy: -346.921763 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -61.570 flat angles C4'-P-C4' energy: -77.214 flat angles P-C4'-P energy: -52.638 tors. eta vs tors. theta energy: -91.516 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: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1139.538533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.538533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.538533 (E_RNA) where: Base-Base interactions energy: -795.165 where: short stacking energy: -346.195 Base-Backbone interact. energy: 1.748 local terms energy: -346.121725 where: bonds (distance) C4'-P energy: -60.708 bonds (distance) P-C4' energy: -66.416 flat angles C4'-P-C4' energy: -78.009 flat angles P-C4'-P energy: -45.365 tors. eta vs tors. theta energy: -95.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1052.761006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.761006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.761006 (E_RNA) where: Base-Base interactions energy: -734.515 where: short stacking energy: -322.069 Base-Backbone interact. energy: -1.432 local terms energy: -316.813580 where: bonds (distance) C4'-P energy: -55.716 bonds (distance) P-C4' energy: -58.317 flat angles C4'-P-C4' energy: -66.980 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -92.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1050.353542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.353542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.353542 (E_RNA) where: Base-Base interactions energy: -722.438 where: short stacking energy: -318.180 Base-Backbone interact. energy: -0.306 local terms energy: -327.609053 where: bonds (distance) C4'-P energy: -65.777 bonds (distance) P-C4' energy: -63.069 flat angles C4'-P-C4' energy: -59.221 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -89.254 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -961.942200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.942200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.942200 (E_RNA) where: Base-Base interactions energy: -649.873 where: short stacking energy: -307.276 Base-Backbone interact. energy: -1.425 local terms energy: -310.645098 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -53.336 flat angles C4'-P-C4' energy: -72.141 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -85.493 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: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -893.872329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.872329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.872329 (E_RNA) where: Base-Base interactions energy: -617.277 where: short stacking energy: -259.322 Base-Backbone interact. energy: -0.253 local terms energy: -276.342570 where: bonds (distance) C4'-P energy: -48.924 bonds (distance) P-C4' energy: -62.426 flat angles C4'-P-C4' energy: -64.618 flat angles P-C4'-P energy: -34.975 tors. eta vs tors. theta energy: -65.400 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -788.886873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.886873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.886873 (E_RNA) where: Base-Base interactions energy: -499.042 where: short stacking energy: -245.172 Base-Backbone interact. energy: 1.511 local terms energy: -291.356515 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -67.250 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -55.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -791.788917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.788917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.788917 (E_RNA) where: Base-Base interactions energy: -545.104 where: short stacking energy: -237.325 Base-Backbone interact. energy: -0.286 local terms energy: -246.398782 where: bonds (distance) C4'-P energy: -53.943 bonds (distance) P-C4' energy: -52.039 flat angles C4'-P-C4' energy: -54.731 flat angles P-C4'-P energy: -30.797 tors. eta vs tors. theta energy: -54.889 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: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -764.114788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.114788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.114788 (E_RNA) where: Base-Base interactions energy: -526.732 where: short stacking energy: -216.244 Base-Backbone interact. energy: 0.063 local terms energy: -237.445837 where: bonds (distance) C4'-P energy: -48.947 bonds (distance) P-C4' energy: -55.593 flat angles C4'-P-C4' energy: -56.766 flat angles P-C4'-P energy: -31.248 tors. eta vs tors. theta energy: -44.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -569.674297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.674297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.674297 (E_RNA) where: Base-Base interactions energy: -351.854 where: short stacking energy: -162.678 Base-Backbone interact. energy: -1.628 local terms energy: -216.192074 where: bonds (distance) C4'-P energy: -53.267 bonds (distance) P-C4' energy: -52.497 flat angles C4'-P-C4' energy: -50.804 flat angles P-C4'-P energy: -33.672 tors. eta vs tors. theta energy: -25.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1148.764632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.764632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.764632 (E_RNA) where: Base-Base interactions energy: -803.823 where: short stacking energy: -352.705 Base-Backbone interact. energy: -2.162 local terms energy: -342.779398 where: bonds (distance) C4'-P energy: -59.154 bonds (distance) P-C4' energy: -72.040 flat angles C4'-P-C4' energy: -75.234 flat angles P-C4'-P energy: -50.171 tors. eta vs tors. theta energy: -86.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1097.432176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.432176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.432176 (E_RNA) where: Base-Base interactions energy: -755.152 where: short stacking energy: -343.315 Base-Backbone interact. energy: -1.438 local terms energy: -340.842487 where: bonds (distance) C4'-P energy: -57.647 bonds (distance) P-C4' energy: -61.023 flat angles C4'-P-C4' energy: -74.809 flat angles P-C4'-P energy: -47.099 tors. eta vs tors. theta energy: -100.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1070.921725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.921725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.921725 (E_RNA) where: Base-Base interactions energy: -742.939 where: short stacking energy: -325.956 Base-Backbone interact. energy: -2.264 local terms energy: -325.718879 where: bonds (distance) C4'-P energy: -55.370 bonds (distance) P-C4' energy: -67.279 flat angles C4'-P-C4' energy: -67.367 flat angles P-C4'-P energy: -46.243 tors. eta vs tors. theta energy: -89.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1031.781457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.781457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.781457 (E_RNA) where: Base-Base interactions energy: -716.641 where: short stacking energy: -318.611 Base-Backbone interact. energy: 0.171 local terms energy: -315.311354 where: bonds (distance) C4'-P energy: -60.017 bonds (distance) P-C4' energy: -59.981 flat angles C4'-P-C4' energy: -64.091 flat angles P-C4'-P energy: -40.446 tors. eta vs tors. theta energy: -90.777 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: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -952.689285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.689285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.689285 (E_RNA) where: Base-Base interactions energy: -648.738 where: short stacking energy: -298.103 Base-Backbone interact. energy: 2.032 local terms energy: -305.983996 where: bonds (distance) C4'-P energy: -57.579 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -48.733 tors. eta vs tors. theta energy: -82.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -921.561774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.561774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.561774 (E_RNA) where: Base-Base interactions energy: -622.067 where: short stacking energy: -278.348 Base-Backbone interact. energy: 5.286 local terms energy: -304.780464 where: bonds (distance) C4'-P energy: -50.053 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -68.527 flat angles P-C4'-P energy: -51.500 tors. eta vs tors. theta energy: -73.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -820.184988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.184988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.184988 (E_RNA) where: Base-Base interactions energy: -547.504 where: short stacking energy: -238.986 Base-Backbone interact. energy: -0.235 local terms energy: -272.445465 where: bonds (distance) C4'-P energy: -54.621 bonds (distance) P-C4' energy: -55.405 flat angles C4'-P-C4' energy: -65.521 flat angles P-C4'-P energy: -34.487 tors. eta vs tors. theta energy: -62.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -765.447260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.447260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.447260 (E_RNA) where: Base-Base interactions energy: -518.054 where: short stacking energy: -252.637 Base-Backbone interact. energy: -0.227 local terms energy: -247.166393 where: bonds (distance) C4'-P energy: -41.486 bonds (distance) P-C4' energy: -55.531 flat angles C4'-P-C4' energy: -62.097 flat angles P-C4'-P energy: -30.005 tors. eta vs tors. theta energy: -58.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -761.805150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.805150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.805150 (E_RNA) where: Base-Base interactions energy: -522.505 where: short stacking energy: -201.296 Base-Backbone interact. energy: 1.942 local terms energy: -241.241631 where: bonds (distance) C4'-P energy: -41.786 bonds (distance) P-C4' energy: -58.976 flat angles C4'-P-C4' energy: -54.503 flat angles P-C4'-P energy: -32.084 tors. eta vs tors. theta energy: -53.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -583.602047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.602047 (E_RNA) where: Base-Base interactions energy: -379.257 where: short stacking energy: -177.509 Base-Backbone interact. energy: -1.505 local terms energy: -202.840034 where: bonds (distance) C4'-P energy: -35.726 bonds (distance) P-C4' energy: -61.599 flat angles C4'-P-C4' energy: -45.135 flat angles P-C4'-P energy: -32.699 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: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1165.004943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.004943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.004943 (E_RNA) where: Base-Base interactions energy: -814.484 where: short stacking energy: -353.844 Base-Backbone interact. energy: -1.523 local terms energy: -348.997643 where: bonds (distance) C4'-P energy: -62.270 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -72.719 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -98.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1098.109156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.109156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.109156 (E_RNA) where: Base-Base interactions energy: -760.996 where: short stacking energy: -350.960 Base-Backbone interact. energy: -1.334 local terms energy: -335.779263 where: bonds (distance) C4'-P energy: -63.099 bonds (distance) P-C4' energy: -54.718 flat angles C4'-P-C4' energy: -72.989 flat angles P-C4'-P energy: -47.230 tors. eta vs tors. theta energy: -97.743 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: 229 Temperature: 1.000000 Total energy: -1082.002939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.002939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.002939 (E_RNA) where: Base-Base interactions energy: -758.881 where: short stacking energy: -337.493 Base-Backbone interact. energy: -0.517 local terms energy: -322.604653 where: bonds (distance) C4'-P energy: -55.029 bonds (distance) P-C4' energy: -57.226 flat angles C4'-P-C4' energy: -71.293 flat angles P-C4'-P energy: -49.312 tors. eta vs tors. theta energy: -89.744 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: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -988.849058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.849058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.849058 (E_RNA) where: Base-Base interactions energy: -681.186 where: short stacking energy: -309.362 Base-Backbone interact. energy: -0.820 local terms energy: -306.843170 where: bonds (distance) C4'-P energy: -53.158 bonds (distance) P-C4' energy: -58.432 flat angles C4'-P-C4' energy: -71.034 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -83.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -983.891012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.891012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.891012 (E_RNA) where: Base-Base interactions energy: -688.302 where: short stacking energy: -291.012 Base-Backbone interact. energy: -1.132 local terms energy: -294.457093 where: bonds (distance) C4'-P energy: -61.658 bonds (distance) P-C4' energy: -39.301 flat angles C4'-P-C4' energy: -59.755 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -882.119123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.119123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.119123 (E_RNA) where: Base-Base interactions energy: -616.829 where: short stacking energy: -276.127 Base-Backbone interact. energy: -1.659 local terms energy: -263.630470 where: bonds (distance) C4'-P energy: -56.426 bonds (distance) P-C4' energy: -53.193 flat angles C4'-P-C4' energy: -61.859 flat angles P-C4'-P energy: -21.223 tors. eta vs tors. theta energy: -70.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -812.936016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.936016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.936016 (E_RNA) where: Base-Base interactions energy: -550.870 where: short stacking energy: -256.060 Base-Backbone interact. energy: -0.891 local terms energy: -261.174992 where: bonds (distance) C4'-P energy: -48.288 bonds (distance) P-C4' energy: -39.365 flat angles C4'-P-C4' energy: -64.203 flat angles P-C4'-P energy: -43.294 tors. eta vs tors. theta energy: -66.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -762.338912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.338912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.338912 (E_RNA) where: Base-Base interactions energy: -492.322 where: short stacking energy: -235.111 Base-Backbone interact. energy: -0.985 local terms energy: -269.032135 where: bonds (distance) C4'-P energy: -53.121 bonds (distance) P-C4' energy: -52.264 flat angles C4'-P-C4' energy: -61.831 flat angles P-C4'-P energy: -36.501 tors. eta vs tors. theta energy: -65.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -729.439966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.439966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.439966 (E_RNA) where: Base-Base interactions energy: -509.844 where: short stacking energy: -205.896 Base-Backbone interact. energy: -0.698 local terms energy: -218.897220 where: bonds (distance) C4'-P energy: -55.223 bonds (distance) P-C4' energy: -52.288 flat angles C4'-P-C4' energy: -39.855 flat angles P-C4'-P energy: -22.581 tors. eta vs tors. theta energy: -48.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -559.486243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.486243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.486243 (E_RNA) where: Base-Base interactions energy: -357.862 where: short stacking energy: -162.003 Base-Backbone interact. energy: 0.143 local terms energy: -201.766642 where: bonds (distance) C4'-P energy: -40.179 bonds (distance) P-C4' energy: -51.267 flat angles C4'-P-C4' energy: -57.404 flat angles P-C4'-P energy: -32.621 tors. eta vs tors. theta energy: -20.297 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: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1152.497305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.497305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.497305 (E_RNA) where: Base-Base interactions energy: -802.895 where: short stacking energy: -350.504 Base-Backbone interact. energy: -1.261 local terms energy: -348.341446 where: bonds (distance) C4'-P energy: -63.504 bonds (distance) P-C4' energy: -60.614 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -47.870 tors. eta vs tors. theta energy: -98.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1111.985171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.985171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.985171 (E_RNA) where: Base-Base interactions energy: -754.224 where: short stacking energy: -339.710 Base-Backbone interact. energy: -0.979 local terms energy: -356.781542 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -64.104 flat angles C4'-P-C4' energy: -74.955 flat angles P-C4'-P energy: -45.727 tors. eta vs tors. theta energy: -97.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1080.212605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.212605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.212605 (E_RNA) where: Base-Base interactions energy: -767.714 where: short stacking energy: -325.865 Base-Backbone interact. energy: 2.231 local terms energy: -314.730279 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -59.988 flat angles C4'-P-C4' energy: -63.957 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -92.400 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: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -988.627051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.627051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.627051 (E_RNA) where: Base-Base interactions energy: -650.296 where: short stacking energy: -322.098 Base-Backbone interact. energy: -0.623 local terms energy: -337.708775 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -53.837 tors. eta vs tors. theta energy: -89.055 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: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -935.189130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.189130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.189130 (E_RNA) where: Base-Base interactions energy: -656.821 where: short stacking energy: -285.025 Base-Backbone interact. energy: 0.712 local terms energy: -279.080622 where: bonds (distance) C4'-P energy: -48.846 bonds (distance) P-C4' energy: -55.298 flat angles C4'-P-C4' energy: -59.610 flat angles P-C4'-P energy: -44.024 tors. eta vs tors. theta energy: -71.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -874.273944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.273944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.273944 (E_RNA) where: Base-Base interactions energy: -605.613 where: short stacking energy: -281.250 Base-Backbone interact. energy: -1.387 local terms energy: -267.273914 where: bonds (distance) C4'-P energy: -50.555 bonds (distance) P-C4' energy: -54.961 flat angles C4'-P-C4' energy: -55.536 flat angles P-C4'-P energy: -35.352 tors. eta vs tors. theta energy: -70.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -811.289592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.289592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.289592 (E_RNA) where: Base-Base interactions energy: -537.491 where: short stacking energy: -239.141 Base-Backbone interact. energy: -0.300 local terms energy: -273.498766 where: bonds (distance) C4'-P energy: -60.006 bonds (distance) P-C4' energy: -55.933 flat angles C4'-P-C4' energy: -55.398 flat angles P-C4'-P energy: -38.939 tors. eta vs tors. theta energy: -63.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -788.303930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.303930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.303930 (E_RNA) where: Base-Base interactions energy: -522.846 where: short stacking energy: -246.783 Base-Backbone interact. energy: -3.009 local terms energy: -262.448821 where: bonds (distance) C4'-P energy: -56.510 bonds (distance) P-C4' energy: -49.521 flat angles C4'-P-C4' energy: -63.669 flat angles P-C4'-P energy: -35.771 tors. eta vs tors. theta energy: -56.978 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: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -755.723883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.723883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.723883 (E_RNA) where: Base-Base interactions energy: -531.726 where: short stacking energy: -221.835 Base-Backbone interact. energy: 0.003 local terms energy: -224.000808 where: bonds (distance) C4'-P energy: -43.688 bonds (distance) P-C4' energy: -49.819 flat angles C4'-P-C4' energy: -52.219 flat angles P-C4'-P energy: -29.095 tors. eta vs tors. theta energy: -49.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -558.110545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.110545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.110545 (E_RNA) where: Base-Base interactions energy: -356.805 where: short stacking energy: -151.028 Base-Backbone interact. energy: 0.177 local terms energy: -201.482526 where: bonds (distance) C4'-P energy: -39.431 bonds (distance) P-C4' energy: -52.324 flat angles C4'-P-C4' energy: -51.788 flat angles P-C4'-P energy: -29.006 tors. eta vs tors. theta energy: -28.934 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1162.706888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.706888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.706888 (E_RNA) where: Base-Base interactions energy: -811.803 where: short stacking energy: -342.842 Base-Backbone interact. energy: -1.943 local terms energy: -348.960918 where: bonds (distance) C4'-P energy: -66.097 bonds (distance) P-C4' energy: -74.478 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -48.150 tors. eta vs tors. theta energy: -93.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1108.101111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.101111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.101111 (E_RNA) where: Base-Base interactions energy: -777.015 where: short stacking energy: -330.544 Base-Backbone interact. energy: -0.845 local terms energy: -330.241090 where: bonds (distance) C4'-P energy: -60.625 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -72.720 flat angles P-C4'-P energy: -42.581 tors. eta vs tors. theta energy: -94.727 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: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1060.147932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.147932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.147932 (E_RNA) where: Base-Base interactions energy: -730.821 where: short stacking energy: -319.525 Base-Backbone interact. energy: 2.752 local terms energy: -332.079135 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -64.525 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: -93.187 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: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -989.265798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.265798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.265798 (E_RNA) where: Base-Base interactions energy: -680.377 where: short stacking energy: -317.959 Base-Backbone interact. energy: 1.219 local terms energy: -310.107991 where: bonds (distance) C4'-P energy: -55.166 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -60.533 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -96.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -935.919142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.919142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.919142 (E_RNA) where: Base-Base interactions energy: -649.267 where: short stacking energy: -296.963 Base-Backbone interact. energy: -1.176 local terms energy: -285.476998 where: bonds (distance) C4'-P energy: -53.758 bonds (distance) P-C4' energy: -52.049 flat angles C4'-P-C4' energy: -65.339 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -70.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -906.676914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.676914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.676914 (E_RNA) where: Base-Base interactions energy: -642.995 where: short stacking energy: -263.634 Base-Backbone interact. energy: -0.443 local terms energy: -263.239202 where: bonds (distance) C4'-P energy: -52.175 bonds (distance) P-C4' energy: -56.500 flat angles C4'-P-C4' energy: -56.050 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: -56.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -803.469756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.469756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.469756 (E_RNA) where: Base-Base interactions energy: -544.153 where: short stacking energy: -230.741 Base-Backbone interact. energy: -0.553 local terms energy: -258.763846 where: bonds (distance) C4'-P energy: -59.268 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -54.343 flat angles P-C4'-P energy: -24.675 tors. eta vs tors. theta energy: -55.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -742.968390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.968390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.968390 (E_RNA) where: Base-Base interactions energy: -501.047 where: short stacking energy: -204.864 Base-Backbone interact. energy: -1.609 local terms energy: -240.312041 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -55.017 flat angles C4'-P-C4' energy: -49.623 flat angles P-C4'-P energy: -35.798 tors. eta vs tors. theta energy: -40.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -785.596119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.596119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.596119 (E_RNA) where: Base-Base interactions energy: -516.536 where: short stacking energy: -237.956 Base-Backbone interact. energy: -2.236 local terms energy: -266.824292 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -55.926 flat angles C4'-P-C4' energy: -63.508 flat angles P-C4'-P energy: -31.100 tors. eta vs tors. theta energy: -61.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -575.900337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.900337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.900337 (E_RNA) where: Base-Base interactions energy: -379.052 where: short stacking energy: -177.750 Base-Backbone interact. energy: 0.056 local terms energy: -196.904111 where: bonds (distance) C4'-P energy: -53.241 bonds (distance) P-C4' energy: -54.892 flat angles C4'-P-C4' energy: -47.823 flat angles P-C4'-P energy: -13.004 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: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1172.652905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.652905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.652905 (E_RNA) where: Base-Base interactions energy: -812.935 where: short stacking energy: -344.548 Base-Backbone interact. energy: 1.225 local terms energy: -360.942103 where: bonds (distance) C4'-P energy: -63.474 bonds (distance) P-C4' energy: -73.254 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -50.414 tors. eta vs tors. theta energy: -97.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1108.169258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.169258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.169258 (E_RNA) where: Base-Base interactions energy: -777.272 where: short stacking energy: -332.160 Base-Backbone interact. energy: -1.511 local terms energy: -329.386512 where: bonds (distance) C4'-P energy: -57.011 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -99.102 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: 232 Temperature: 1.000000 Total energy: -1095.148970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.148970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.148970 (E_RNA) where: Base-Base interactions energy: -757.230 where: short stacking energy: -341.395 Base-Backbone interact. energy: -0.686 local terms energy: -337.233162 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -63.345 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -45.048 tors. eta vs tors. theta energy: -88.121 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: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -988.677244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.677244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.677244 (E_RNA) where: Base-Base interactions energy: -674.925 where: short stacking energy: -317.947 Base-Backbone interact. energy: 0.090 local terms energy: -313.841561 where: bonds (distance) C4'-P energy: -53.011 bonds (distance) P-C4' energy: -60.799 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -46.567 tors. eta vs tors. theta energy: -83.455 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: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -942.309725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.309725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.309725 (E_RNA) where: Base-Base interactions energy: -647.742 where: short stacking energy: -295.222 Base-Backbone interact. energy: -0.993 local terms energy: -293.575098 where: bonds (distance) C4'-P energy: -60.951 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -37.387 tors. eta vs tors. theta energy: -76.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -950.906652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.906652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.906652 (E_RNA) where: Base-Base interactions energy: -661.672 where: short stacking energy: -286.171 Base-Backbone interact. energy: -0.592 local terms energy: -288.642964 where: bonds (distance) C4'-P energy: -48.627 bonds (distance) P-C4' energy: -49.559 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -80.135 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: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -830.619681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.619681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.619681 (E_RNA) where: Base-Base interactions energy: -571.448 where: short stacking energy: -246.006 Base-Backbone interact. energy: 0.166 local terms energy: -259.337324 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -52.094 flat angles C4'-P-C4' energy: -54.551 flat angles P-C4'-P energy: -38.037 tors. eta vs tors. theta energy: -61.216 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: 232 Temperature: 1.250000 Total energy: -798.910382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.910382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.910382 (E_RNA) where: Base-Base interactions energy: -556.687 where: short stacking energy: -244.824 Base-Backbone interact. energy: -0.820 local terms energy: -241.403157 where: bonds (distance) C4'-P energy: -45.501 bonds (distance) P-C4' energy: -55.075 flat angles C4'-P-C4' energy: -50.353 flat angles P-C4'-P energy: -27.182 tors. eta vs tors. theta energy: -63.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -771.713436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.713436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.713436 (E_RNA) where: Base-Base interactions energy: -517.235 where: short stacking energy: -251.536 Base-Backbone interact. energy: 3.267 local terms energy: -257.745326 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -61.390 flat angles C4'-P-C4' energy: -61.047 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -53.764 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: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -514.305141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.305141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.305141 (E_RNA) where: Base-Base interactions energy: -336.710 where: short stacking energy: -182.999 Base-Backbone interact. energy: 0.310 local terms energy: -177.905773 where: bonds (distance) C4'-P energy: -36.053 bonds (distance) P-C4' energy: -45.396 flat angles C4'-P-C4' energy: -48.099 flat angles P-C4'-P energy: -19.481 tors. eta vs tors. theta energy: -28.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1145.766381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.766381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.766381 (E_RNA) where: Base-Base interactions energy: -812.295 where: short stacking energy: -326.737 Base-Backbone interact. energy: -1.556 local terms energy: -331.915276 where: bonds (distance) C4'-P energy: -61.724 bonds (distance) P-C4' energy: -60.061 flat angles C4'-P-C4' energy: -70.440 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -90.208 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: 233 Temperature: 0.950000 Total energy: -1098.315288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.315288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.315288 (E_RNA) where: Base-Base interactions energy: -781.021 where: short stacking energy: -332.915 Base-Backbone interact. energy: 1.113 local terms energy: -318.406535 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -47.868 tors. eta vs tors. theta energy: -82.593 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1064.691845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.691845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.691845 (E_RNA) where: Base-Base interactions energy: -737.286 where: short stacking energy: -338.359 Base-Backbone interact. energy: 0.135 local terms energy: -327.541117 where: bonds (distance) C4'-P energy: -69.433 bonds (distance) P-C4' energy: -49.668 flat angles C4'-P-C4' energy: -73.562 flat angles P-C4'-P energy: -38.136 tors. eta vs tors. theta energy: -96.742 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: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -954.001563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.001563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.001563 (E_RNA) where: Base-Base interactions energy: -640.599 where: short stacking energy: -295.423 Base-Backbone interact. energy: 0.160 local terms energy: -313.561937 where: bonds (distance) C4'-P energy: -50.197 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -66.646 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -86.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -984.009507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.009507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.009507 (E_RNA) where: Base-Base interactions energy: -676.002 where: short stacking energy: -314.937 Base-Backbone interact. energy: -1.933 local terms energy: -306.075081 where: bonds (distance) C4'-P energy: -45.763 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -49.337 tors. eta vs tors. theta energy: -82.563 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: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -966.959716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.959716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.959716 (E_RNA) where: Base-Base interactions energy: -678.045 where: short stacking energy: -295.500 Base-Backbone interact. energy: 2.349 local terms energy: -291.264423 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -58.537 flat angles P-C4'-P energy: -30.517 tors. eta vs tors. theta energy: -75.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -818.128048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.128048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.128048 (E_RNA) where: Base-Base interactions energy: -555.879 where: short stacking energy: -257.385 Base-Backbone interact. energy: -0.093 local terms energy: -262.155214 where: bonds (distance) C4'-P energy: -53.880 bonds (distance) P-C4' energy: -57.553 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -31.694 tors. eta vs tors. theta energy: -59.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -762.456278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.456278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.456278 (E_RNA) where: Base-Base interactions energy: -512.408 where: short stacking energy: -240.926 Base-Backbone interact. energy: -1.196 local terms energy: -248.851355 where: bonds (distance) C4'-P energy: -51.100 bonds (distance) P-C4' energy: -48.735 flat angles C4'-P-C4' energy: -57.338 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -54.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -748.669960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.669960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.669960 (E_RNA) where: Base-Base interactions energy: -519.740 where: short stacking energy: -201.789 Base-Backbone interact. energy: 0.496 local terms energy: -229.426452 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -49.645 flat angles C4'-P-C4' energy: -48.885 flat angles P-C4'-P energy: -37.690 tors. eta vs tors. theta energy: -37.686 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: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -502.230088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.230088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.230088 (E_RNA) where: Base-Base interactions energy: -305.451 where: short stacking energy: -177.011 Base-Backbone interact. energy: 0.736 local terms energy: -197.514528 where: bonds (distance) C4'-P energy: -51.339 bonds (distance) P-C4' energy: -33.566 flat angles C4'-P-C4' energy: -51.464 flat angles P-C4'-P energy: -23.049 tors. eta vs tors. theta energy: -38.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1139.135068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.135068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.135068 (E_RNA) where: Base-Base interactions energy: -817.273 where: short stacking energy: -340.912 Base-Backbone interact. energy: -1.925 local terms energy: -319.937572 where: bonds (distance) C4'-P energy: -63.444 bonds (distance) P-C4' energy: -60.586 flat angles C4'-P-C4' energy: -63.520 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -81.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1108.908562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.908562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.908562 (E_RNA) where: Base-Base interactions energy: -785.835 where: short stacking energy: -332.633 Base-Backbone interact. energy: -0.813 local terms energy: -322.260926 where: bonds (distance) C4'-P energy: -62.779 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -41.895 tors. eta vs tors. theta energy: -87.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1084.824837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.824837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.824837 (E_RNA) where: Base-Base interactions energy: -756.992 where: short stacking energy: -341.878 Base-Backbone interact. energy: 1.355 local terms energy: -329.188210 where: bonds (distance) C4'-P energy: -55.622 bonds (distance) P-C4' energy: -54.888 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -100.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1007.372734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.372734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.372734 (E_RNA) where: Base-Base interactions energy: -685.595 where: short stacking energy: -292.686 Base-Backbone interact. energy: 1.486 local terms energy: -323.264024 where: bonds (distance) C4'-P energy: -58.224 bonds (distance) P-C4' energy: -59.981 flat angles C4'-P-C4' energy: -71.430 flat angles P-C4'-P energy: -50.645 tors. eta vs tors. theta energy: -82.984 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: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -968.506464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.506464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.506464 (E_RNA) where: Base-Base interactions energy: -662.400 where: short stacking energy: -305.224 Base-Backbone interact. energy: -1.535 local terms energy: -304.571293 where: bonds (distance) C4'-P energy: -43.791 bonds (distance) P-C4' energy: -65.633 flat angles C4'-P-C4' energy: -63.448 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -85.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -933.172448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.172448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.172448 (E_RNA) where: Base-Base interactions energy: -651.881 where: short stacking energy: -272.381 Base-Backbone interact. energy: 4.568 local terms energy: -285.859639 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -51.372 flat angles C4'-P-C4' energy: -60.106 flat angles P-C4'-P energy: -41.714 tors. eta vs tors. theta energy: -66.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -819.160908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.160908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.160908 (E_RNA) where: Base-Base interactions energy: -551.163 where: short stacking energy: -239.381 Base-Backbone interact. energy: -0.297 local terms energy: -267.700794 where: bonds (distance) C4'-P energy: -54.707 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -63.519 flat angles P-C4'-P energy: -34.422 tors. eta vs tors. theta energy: -56.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -785.387928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.387928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.387928 (E_RNA) where: Base-Base interactions energy: -535.809 where: short stacking energy: -250.877 Base-Backbone interact. energy: 0.113 local terms energy: -249.692243 where: bonds (distance) C4'-P energy: -46.378 bonds (distance) P-C4' energy: -54.179 flat angles C4'-P-C4' energy: -54.792 flat angles P-C4'-P energy: -34.061 tors. eta vs tors. theta energy: -60.283 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -764.398976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.398976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.398976 (E_RNA) where: Base-Base interactions energy: -532.683 where: short stacking energy: -210.241 Base-Backbone interact. energy: -0.870 local terms energy: -230.845753 where: bonds (distance) C4'-P energy: -46.060 bonds (distance) P-C4' energy: -43.211 flat angles C4'-P-C4' energy: -53.434 flat angles P-C4'-P energy: -35.386 tors. eta vs tors. theta energy: -52.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -513.557052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.557052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.557052 (E_RNA) where: Base-Base interactions energy: -313.142 where: short stacking energy: -139.296 Base-Backbone interact. energy: -0.620 local terms energy: -199.794995 where: bonds (distance) C4'-P energy: -55.013 bonds (distance) P-C4' energy: -53.506 flat angles C4'-P-C4' energy: -42.511 flat angles P-C4'-P energy: -31.949 tors. eta vs tors. theta energy: -16.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1156.529151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.529151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.529151 (E_RNA) where: Base-Base interactions energy: -802.909 where: short stacking energy: -347.794 Base-Backbone interact. energy: -1.833 local terms energy: -351.787379 where: bonds (distance) C4'-P energy: -67.919 bonds (distance) P-C4' energy: -68.463 flat angles C4'-P-C4' energy: -69.578 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -97.019 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: 235 Temperature: 0.950000 Total energy: -1120.066380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.066380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.066380 (E_RNA) where: Base-Base interactions energy: -791.047 where: short stacking energy: -345.781 Base-Backbone interact. energy: -2.089 local terms energy: -326.930534 where: bonds (distance) C4'-P energy: -55.047 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -70.385 flat angles P-C4'-P energy: -41.742 tors. eta vs tors. theta energy: -90.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1076.612135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.612135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.612135 (E_RNA) where: Base-Base interactions energy: -740.316 where: short stacking energy: -324.241 Base-Backbone interact. energy: -0.336 local terms energy: -335.959976 where: bonds (distance) C4'-P energy: -56.614 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -72.723 flat angles P-C4'-P energy: -50.050 tors. eta vs tors. theta energy: -90.358 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: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1008.797350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.797350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.797350 (E_RNA) where: Base-Base interactions energy: -723.042 where: short stacking energy: -317.507 Base-Backbone interact. energy: -0.493 local terms energy: -285.262113 where: bonds (distance) C4'-P energy: -53.707 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -58.355 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -64.786 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: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -946.753489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.753489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.753489 (E_RNA) where: Base-Base interactions energy: -632.911 where: short stacking energy: -287.858 Base-Backbone interact. energy: 0.382 local terms energy: -314.224916 where: bonds (distance) C4'-P energy: -63.933 bonds (distance) P-C4' energy: -62.972 flat angles C4'-P-C4' energy: -63.639 flat angles P-C4'-P energy: -46.270 tors. eta vs tors. theta energy: -77.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -907.902567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.902567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.902567 (E_RNA) where: Base-Base interactions energy: -619.136 where: short stacking energy: -278.683 Base-Backbone interact. energy: 3.589 local terms energy: -292.355578 where: bonds (distance) C4'-P energy: -65.992 bonds (distance) P-C4' energy: -63.526 flat angles C4'-P-C4' energy: -55.493 flat angles P-C4'-P energy: -39.045 tors. eta vs tors. theta energy: -68.300 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: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -848.973703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.973703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.973703 (E_RNA) where: Base-Base interactions energy: -578.547 where: short stacking energy: -261.659 Base-Backbone interact. energy: -1.169 local terms energy: -269.257670 where: bonds (distance) C4'-P energy: -42.162 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -58.596 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -70.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -802.761176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.761176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.761176 (E_RNA) where: Base-Base interactions energy: -544.405 where: short stacking energy: -240.371 Base-Backbone interact. energy: -1.049 local terms energy: -257.306709 where: bonds (distance) C4'-P energy: -48.589 bonds (distance) P-C4' energy: -58.784 flat angles C4'-P-C4' energy: -61.530 flat angles P-C4'-P energy: -27.903 tors. eta vs tors. theta energy: -60.501 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: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -759.654907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.654907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.654907 (E_RNA) where: Base-Base interactions energy: -524.936 where: short stacking energy: -220.949 Base-Backbone interact. energy: 0.300 local terms energy: -235.018721 where: bonds (distance) C4'-P energy: -49.171 bonds (distance) P-C4' energy: -43.047 flat angles C4'-P-C4' energy: -51.670 flat angles P-C4'-P energy: -40.191 tors. eta vs tors. theta energy: -50.941 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: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -491.742278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.742278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.742278 (E_RNA) where: Base-Base interactions energy: -280.955 where: short stacking energy: -136.079 Base-Backbone interact. energy: 1.831 local terms energy: -212.617670 where: bonds (distance) C4'-P energy: -45.938 bonds (distance) P-C4' energy: -50.568 flat angles C4'-P-C4' energy: -58.098 flat angles P-C4'-P energy: -39.792 tors. eta vs tors. theta energy: -18.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1171.083272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.083272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.083272 (E_RNA) where: Base-Base interactions energy: -834.701 where: short stacking energy: -369.782 Base-Backbone interact. energy: -1.651 local terms energy: -334.731077 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -73.358 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -99.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1085.921756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.921756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.921756 (E_RNA) where: Base-Base interactions energy: -747.676 where: short stacking energy: -331.781 Base-Backbone interact. energy: -2.376 local terms energy: -335.869032 where: bonds (distance) C4'-P energy: -72.500 bonds (distance) P-C4' energy: -58.140 flat angles C4'-P-C4' energy: -70.946 flat angles P-C4'-P energy: -47.775 tors. eta vs tors. theta energy: -86.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1080.360087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.360087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.360087 (E_RNA) where: Base-Base interactions energy: -747.180 where: short stacking energy: -329.008 Base-Backbone interact. energy: 0.404 local terms energy: -333.583638 where: bonds (distance) C4'-P energy: -64.717 bonds (distance) P-C4' energy: -59.889 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -45.402 tors. eta vs tors. theta energy: -91.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1027.909458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.909458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.909458 (E_RNA) where: Base-Base interactions energy: -732.194 where: short stacking energy: -296.487 Base-Backbone interact. energy: 3.082 local terms energy: -298.797853 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -60.837 flat angles C4'-P-C4' energy: -61.591 flat angles P-C4'-P energy: -35.209 tors. eta vs tors. theta energy: -75.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -973.441140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.441140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.441140 (E_RNA) where: Base-Base interactions energy: -659.314 where: short stacking energy: -302.868 Base-Backbone interact. energy: 0.072 local terms energy: -314.199698 where: bonds (distance) C4'-P energy: -54.675 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -63.131 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -87.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -902.769702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.769702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.769702 (E_RNA) where: Base-Base interactions energy: -622.916 where: short stacking energy: -265.986 Base-Backbone interact. energy: 3.076 local terms energy: -282.930127 where: bonds (distance) C4'-P energy: -58.299 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -57.566 flat angles P-C4'-P energy: -37.286 tors. eta vs tors. theta energy: -63.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -863.834471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.834471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.834471 (E_RNA) where: Base-Base interactions energy: -591.360 where: short stacking energy: -255.683 Base-Backbone interact. energy: 0.368 local terms energy: -272.842350 where: bonds (distance) C4'-P energy: -49.378 bonds (distance) P-C4' energy: -51.257 flat angles C4'-P-C4' energy: -64.941 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: -67.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -829.212943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.212943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.212943 (E_RNA) where: Base-Base interactions energy: -570.538 where: short stacking energy: -265.089 Base-Backbone interact. energy: -1.565 local terms energy: -257.109995 where: bonds (distance) C4'-P energy: -48.512 bonds (distance) P-C4' energy: -39.536 flat angles C4'-P-C4' energy: -63.297 flat angles P-C4'-P energy: -36.579 tors. eta vs tors. theta energy: -69.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -710.403955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.403955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.403955 (E_RNA) where: Base-Base interactions energy: -480.486 where: short stacking energy: -199.656 Base-Backbone interact. energy: -1.439 local terms energy: -228.478879 where: bonds (distance) C4'-P energy: -46.476 bonds (distance) P-C4' energy: -56.053 flat angles C4'-P-C4' energy: -59.614 flat angles P-C4'-P energy: -34.872 tors. eta vs tors. theta energy: -31.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -491.435989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.435989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.435989 (E_RNA) where: Base-Base interactions energy: -292.296 where: short stacking energy: -144.093 Base-Backbone interact. energy: 2.338 local terms energy: -201.477839 where: bonds (distance) C4'-P energy: -49.238 bonds (distance) P-C4' energy: -50.890 flat angles C4'-P-C4' energy: -42.812 flat angles P-C4'-P energy: -32.845 tors. eta vs tors. theta energy: -25.692 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: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1172.673333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.673333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.673333 (E_RNA) where: Base-Base interactions energy: -816.885 where: short stacking energy: -357.087 Base-Backbone interact. energy: -0.282 local terms energy: -355.506004 where: bonds (distance) C4'-P energy: -63.149 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -96.741 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: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1102.647720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.647720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.647720 (E_RNA) where: Base-Base interactions energy: -764.052 where: short stacking energy: -340.596 Base-Backbone interact. energy: -0.356 local terms energy: -338.239941 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -60.511 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -46.025 tors. eta vs tors. theta energy: -88.750 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: 237 Temperature: 1.000000 Total energy: -1088.277923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.277923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.277923 (E_RNA) where: Base-Base interactions energy: -751.345 where: short stacking energy: -326.073 Base-Backbone interact. energy: -3.172 local terms energy: -333.760806 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -69.998 flat angles C4'-P-C4' energy: -72.907 flat angles P-C4'-P energy: -44.657 tors. eta vs tors. theta energy: -87.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1013.680599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.680599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.680599 (E_RNA) where: Base-Base interactions energy: -700.235 where: short stacking energy: -331.987 Base-Backbone interact. energy: -1.331 local terms energy: -312.113732 where: bonds (distance) C4'-P energy: -45.436 bonds (distance) P-C4' energy: -56.987 flat angles C4'-P-C4' energy: -68.601 flat angles P-C4'-P energy: -48.306 tors. eta vs tors. theta energy: -92.784 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: 237 Temperature: 1.100000 Total energy: -964.641033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.641033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.641033 (E_RNA) where: Base-Base interactions energy: -680.064 where: short stacking energy: -308.607 Base-Backbone interact. energy: 2.831 local terms energy: -287.408554 where: bonds (distance) C4'-P energy: -52.244 bonds (distance) P-C4' energy: -47.541 flat angles C4'-P-C4' energy: -69.100 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: -78.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -879.201106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.201106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.201106 (E_RNA) where: Base-Base interactions energy: -586.445 where: short stacking energy: -246.871 Base-Backbone interact. energy: -0.204 local terms energy: -292.552022 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -68.745 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -55.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -866.553700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.553700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.553700 (E_RNA) where: Base-Base interactions energy: -611.845 where: short stacking energy: -257.896 Base-Backbone interact. energy: -0.206 local terms energy: -254.502546 where: bonds (distance) C4'-P energy: -44.996 bonds (distance) P-C4' energy: -55.175 flat angles C4'-P-C4' energy: -62.215 flat angles P-C4'-P energy: -38.267 tors. eta vs tors. theta energy: -53.850 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -742.428520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.428520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.428520 (E_RNA) where: Base-Base interactions energy: -512.187 where: short stacking energy: -213.831 Base-Backbone interact. energy: 2.723 local terms energy: -232.963793 where: bonds (distance) C4'-P energy: -45.886 bonds (distance) P-C4' energy: -53.808 flat angles C4'-P-C4' energy: -43.587 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -46.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -763.411751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.411751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.411751 (E_RNA) where: Base-Base interactions energy: -523.993 where: short stacking energy: -233.961 Base-Backbone interact. energy: -0.083 local terms energy: -239.335135 where: bonds (distance) C4'-P energy: -48.326 bonds (distance) P-C4' energy: -51.647 flat angles C4'-P-C4' energy: -59.562 flat angles P-C4'-P energy: -19.472 tors. eta vs tors. theta energy: -60.328 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: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -470.590540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.590540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.590540 (E_RNA) where: Base-Base interactions energy: -256.517 where: short stacking energy: -130.532 Base-Backbone interact. energy: 2.016 local terms energy: -216.089099 where: bonds (distance) C4'-P energy: -52.795 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -12.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1160.336194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.336194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.336194 (E_RNA) where: Base-Base interactions energy: -808.643 where: short stacking energy: -363.396 Base-Backbone interact. energy: 1.469 local terms energy: -353.161784 where: bonds (distance) C4'-P energy: -70.341 bonds (distance) P-C4' energy: -55.854 flat angles C4'-P-C4' energy: -74.834 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: -99.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1099.144420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.144420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.144420 (E_RNA) where: Base-Base interactions energy: -769.799 where: short stacking energy: -341.637 Base-Backbone interact. energy: 0.687 local terms energy: -330.032862 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -52.841 flat angles C4'-P-C4' energy: -74.113 flat angles P-C4'-P energy: -49.992 tors. eta vs tors. theta energy: -95.075 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: 238 Temperature: 1.000000 Total energy: -1082.412417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.412417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.412417 (E_RNA) where: Base-Base interactions energy: -737.853 where: short stacking energy: -309.392 Base-Backbone interact. energy: -0.632 local terms energy: -343.927210 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -71.187 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -93.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -984.225295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.225295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.225295 (E_RNA) where: Base-Base interactions energy: -694.988 where: short stacking energy: -292.932 Base-Backbone interact. energy: 0.126 local terms energy: -289.362794 where: bonds (distance) C4'-P energy: -52.069 bonds (distance) P-C4' energy: -56.522 flat angles C4'-P-C4' energy: -57.744 flat angles P-C4'-P energy: -41.528 tors. eta vs tors. theta energy: -81.500 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -974.960500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.960500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.960500 (E_RNA) where: Base-Base interactions energy: -667.877 where: short stacking energy: -293.564 Base-Backbone interact. energy: -0.541 local terms energy: -306.542613 where: bonds (distance) C4'-P energy: -64.150 bonds (distance) P-C4' energy: -61.069 flat angles C4'-P-C4' energy: -65.065 flat angles P-C4'-P energy: -36.687 tors. eta vs tors. theta energy: -79.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -856.958128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.958128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.958128 (E_RNA) where: Base-Base interactions energy: -579.243 where: short stacking energy: -276.397 Base-Backbone interact. energy: 0.724 local terms energy: -278.439302 where: bonds (distance) C4'-P energy: -52.139 bonds (distance) P-C4' energy: -54.546 flat angles C4'-P-C4' energy: -61.285 flat angles P-C4'-P energy: -29.720 tors. eta vs tors. theta energy: -80.749 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: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -870.428606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.428606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.428606 (E_RNA) where: Base-Base interactions energy: -588.313 where: short stacking energy: -257.241 Base-Backbone interact. energy: 0.930 local terms energy: -283.045706 where: bonds (distance) C4'-P energy: -54.151 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -57.426 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -65.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -766.956829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.956829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.956829 (E_RNA) where: Base-Base interactions energy: -536.266 where: short stacking energy: -233.711 Base-Backbone interact. energy: -1.151 local terms energy: -229.540395 where: bonds (distance) C4'-P energy: -40.406 bonds (distance) P-C4' energy: -48.057 flat angles C4'-P-C4' energy: -58.731 flat angles P-C4'-P energy: -30.281 tors. eta vs tors. theta energy: -52.065 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: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -760.468912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.468912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.468912 (E_RNA) where: Base-Base interactions energy: -521.440 where: short stacking energy: -231.019 Base-Backbone interact. energy: -0.702 local terms energy: -238.326574 where: bonds (distance) C4'-P energy: -43.047 bonds (distance) P-C4' energy: -62.470 flat angles C4'-P-C4' energy: -48.295 flat angles P-C4'-P energy: -32.725 tors. eta vs tors. theta energy: -51.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -492.540290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.540290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.540290 (E_RNA) where: Base-Base interactions energy: -285.143 where: short stacking energy: -160.677 Base-Backbone interact. energy: 0.686 local terms energy: -208.082585 where: bonds (distance) C4'-P energy: -41.730 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -55.076 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -41.368 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: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1164.649955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.649955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.649955 (E_RNA) where: Base-Base interactions energy: -804.273 where: short stacking energy: -337.878 Base-Backbone interact. energy: -0.768 local terms energy: -359.609170 where: bonds (distance) C4'-P energy: -71.177 bonds (distance) P-C4' energy: -65.539 flat angles C4'-P-C4' energy: -76.271 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -98.012 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: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1088.897494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.897494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.897494 (E_RNA) where: Base-Base interactions energy: -771.677 where: short stacking energy: -346.363 Base-Backbone interact. energy: -2.294 local terms energy: -314.926973 where: bonds (distance) C4'-P energy: -48.488 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -72.442 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: -87.751 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: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1084.924493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.924493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.924493 (E_RNA) where: Base-Base interactions energy: -743.083 where: short stacking energy: -354.874 Base-Backbone interact. energy: -0.745 local terms energy: -341.096846 where: bonds (distance) C4'-P energy: -55.817 bonds (distance) P-C4' energy: -62.525 flat angles C4'-P-C4' energy: -74.211 flat angles P-C4'-P energy: -46.736 tors. eta vs tors. theta energy: -101.808 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: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -998.795464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.795464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.795464 (E_RNA) where: Base-Base interactions energy: -661.470 where: short stacking energy: -302.447 Base-Backbone interact. energy: -1.423 local terms energy: -335.902246 where: bonds (distance) C4'-P energy: -62.932 bonds (distance) P-C4' energy: -67.069 flat angles C4'-P-C4' energy: -72.990 flat angles P-C4'-P energy: -42.823 tors. eta vs tors. theta energy: -90.090 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -958.525101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.525101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.525101 (E_RNA) where: Base-Base interactions energy: -659.839 where: short stacking energy: -285.818 Base-Backbone interact. energy: -0.536 local terms energy: -298.151008 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -48.674 tors. eta vs tors. theta energy: -71.068 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: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -873.635465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.635465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.635465 (E_RNA) where: Base-Base interactions energy: -602.920 where: short stacking energy: -255.549 Base-Backbone interact. energy: -0.286 local terms energy: -270.429003 where: bonds (distance) C4'-P energy: -59.590 bonds (distance) P-C4' energy: -54.821 flat angles C4'-P-C4' energy: -59.695 flat angles P-C4'-P energy: -34.488 tors. eta vs tors. theta energy: -61.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -893.159273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.159273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.159273 (E_RNA) where: Base-Base interactions energy: -609.987 where: short stacking energy: -283.990 Base-Backbone interact. energy: -0.988 local terms energy: -282.184318 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -49.154 flat angles C4'-P-C4' energy: -58.066 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -66.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -760.571558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.571558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.571558 (E_RNA) where: Base-Base interactions energy: -501.601 where: short stacking energy: -237.876 Base-Backbone interact. energy: -0.033 local terms energy: -258.937601 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -50.607 flat angles C4'-P-C4' energy: -52.694 flat angles P-C4'-P energy: -34.046 tors. eta vs tors. theta energy: -62.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -727.940876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.940876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.940876 (E_RNA) where: Base-Base interactions energy: -504.534 where: short stacking energy: -198.573 Base-Backbone interact. energy: 6.067 local terms energy: -229.474162 where: bonds (distance) C4'-P energy: -44.872 bonds (distance) P-C4' energy: -47.384 flat angles C4'-P-C4' energy: -55.812 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: -38.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -476.756455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.756455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.756455 (E_RNA) where: Base-Base interactions energy: -296.745 where: short stacking energy: -164.961 Base-Backbone interact. energy: 4.889 local terms energy: -184.900543 where: bonds (distance) C4'-P energy: -32.670 bonds (distance) P-C4' energy: -62.129 flat angles C4'-P-C4' energy: -45.529 flat angles P-C4'-P energy: -23.745 tors. eta vs tors. theta energy: -20.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1145.656261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.656261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.656261 (E_RNA) where: Base-Base interactions energy: -789.437 where: short stacking energy: -346.093 Base-Backbone interact. energy: -3.303 local terms energy: -352.915715 where: bonds (distance) C4'-P energy: -62.938 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -75.041 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -98.725 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: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1100.639321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.639321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.639321 (E_RNA) where: Base-Base interactions energy: -777.949 where: short stacking energy: -314.822 Base-Backbone interact. energy: -2.099 local terms energy: -320.590552 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -71.230 flat angles C4'-P-C4' energy: -68.582 flat angles P-C4'-P energy: -39.639 tors. eta vs tors. theta energy: -86.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1098.471718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.471718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.471718 (E_RNA) where: Base-Base interactions energy: -758.836 where: short stacking energy: -343.187 Base-Backbone interact. energy: -1.308 local terms energy: -338.327446 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -61.145 flat angles C4'-P-C4' energy: -72.849 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -96.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -994.854722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.854722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.854722 (E_RNA) where: Base-Base interactions energy: -671.495 where: short stacking energy: -297.350 Base-Backbone interact. energy: -0.304 local terms energy: -323.056014 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -67.996 flat angles C4'-P-C4' energy: -64.240 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -87.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -982.875792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.875792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.875792 (E_RNA) where: Base-Base interactions energy: -695.222 where: short stacking energy: -295.971 Base-Backbone interact. energy: 0.316 local terms energy: -287.970335 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -60.198 flat angles P-C4'-P energy: -33.831 tors. eta vs tors. theta energy: -77.214 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: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -853.145491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.145491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.145491 (E_RNA) where: Base-Base interactions energy: -593.849 where: short stacking energy: -264.534 Base-Backbone interact. energy: -1.212 local terms energy: -258.084807 where: bonds (distance) C4'-P energy: -45.227 bonds (distance) P-C4' energy: -46.336 flat angles C4'-P-C4' energy: -63.640 flat angles P-C4'-P energy: -41.050 tors. eta vs tors. theta energy: -61.833 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: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -853.075263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.075263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.075263 (E_RNA) where: Base-Base interactions energy: -561.390 where: short stacking energy: -248.619 Base-Backbone interact. energy: -1.791 local terms energy: -289.893443 where: bonds (distance) C4'-P energy: -55.957 bonds (distance) P-C4' energy: -59.613 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -63.781 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: 240 Temperature: 1.250000 Total energy: -759.555753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.555753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.555753 (E_RNA) where: Base-Base interactions energy: -506.438 where: short stacking energy: -224.303 Base-Backbone interact. energy: -0.962 local terms energy: -252.155346 where: bonds (distance) C4'-P energy: -47.519 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -49.742 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -51.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -675.037617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.037617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.037617 (E_RNA) where: Base-Base interactions energy: -435.292 where: short stacking energy: -196.104 Base-Backbone interact. energy: -1.484 local terms energy: -238.262261 where: bonds (distance) C4'-P energy: -51.807 bonds (distance) P-C4' energy: -58.073 flat angles C4'-P-C4' energy: -67.692 flat angles P-C4'-P energy: -31.306 tors. eta vs tors. theta energy: -29.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -467.028709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.028709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.028709 (E_RNA) where: Base-Base interactions energy: -273.549 where: short stacking energy: -131.638 Base-Backbone interact. energy: 1.245 local terms energy: -194.723919 where: bonds (distance) C4'-P energy: -38.977 bonds (distance) P-C4' energy: -57.864 flat angles C4'-P-C4' energy: -36.625 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -25.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1147.220997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.220997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.220997 (E_RNA) where: Base-Base interactions energy: -808.109 where: short stacking energy: -355.028 Base-Backbone interact. energy: -1.429 local terms energy: -337.682687 where: bonds (distance) C4'-P energy: -55.485 bonds (distance) P-C4' energy: -63.689 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -49.419 tors. eta vs tors. theta energy: -95.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1104.817692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.817692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.817692 (E_RNA) where: Base-Base interactions energy: -770.102 where: short stacking energy: -327.608 Base-Backbone interact. energy: 3.206 local terms energy: -337.921253 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -77.148 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: -82.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1084.538596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.538596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.538596 (E_RNA) where: Base-Base interactions energy: -746.699 where: short stacking energy: -321.346 Base-Backbone interact. energy: -1.909 local terms energy: -335.930366 where: bonds (distance) C4'-P energy: -64.251 bonds (distance) P-C4' energy: -67.104 flat angles C4'-P-C4' energy: -69.598 flat angles P-C4'-P energy: -45.144 tors. eta vs tors. theta energy: -89.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1018.678932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.678932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.678932 (E_RNA) where: Base-Base interactions energy: -703.340 where: short stacking energy: -309.273 Base-Backbone interact. energy: -2.493 local terms energy: -312.845630 where: bonds (distance) C4'-P energy: -59.160 bonds (distance) P-C4' energy: -54.323 flat angles C4'-P-C4' energy: -61.695 flat angles P-C4'-P energy: -50.921 tors. eta vs tors. theta energy: -86.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -958.181738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.181738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.181738 (E_RNA) where: Base-Base interactions energy: -657.218 where: short stacking energy: -301.959 Base-Backbone interact. energy: 1.728 local terms energy: -302.692680 where: bonds (distance) C4'-P energy: -56.815 bonds (distance) P-C4' energy: -52.599 flat angles C4'-P-C4' energy: -60.026 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -87.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -857.137649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.137649 (E_RNA) where: Base-Base interactions energy: -582.830 where: short stacking energy: -288.537 Base-Backbone interact. energy: -0.683 local terms energy: -273.624650 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -43.657 flat angles C4'-P-C4' energy: -65.680 flat angles P-C4'-P energy: -43.605 tors. eta vs tors. theta energy: -63.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -854.552926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.552926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.552926 (E_RNA) where: Base-Base interactions energy: -584.256 where: short stacking energy: -258.121 Base-Backbone interact. energy: -0.475 local terms energy: -269.821482 where: bonds (distance) C4'-P energy: -59.945 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -52.452 flat angles P-C4'-P energy: -41.324 tors. eta vs tors. theta energy: -61.464 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: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -735.646261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.646261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.646261 (E_RNA) where: Base-Base interactions energy: -491.997 where: short stacking energy: -239.786 Base-Backbone interact. energy: -0.714 local terms energy: -242.935059 where: bonds (distance) C4'-P energy: -51.205 bonds (distance) P-C4' energy: -60.011 flat angles C4'-P-C4' energy: -55.543 flat angles P-C4'-P energy: -23.867 tors. eta vs tors. theta energy: -52.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -672.403065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.403065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.403065 (E_RNA) where: Base-Base interactions energy: -451.287 where: short stacking energy: -181.595 Base-Backbone interact. energy: -1.725 local terms energy: -219.390770 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -52.196 flat angles C4'-P-C4' energy: -40.228 flat angles P-C4'-P energy: -28.097 tors. eta vs tors. theta energy: -40.715 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: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -476.497016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.497016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.497016 (E_RNA) where: Base-Base interactions energy: -299.629 where: short stacking energy: -139.407 Base-Backbone interact. energy: -0.764 local terms energy: -176.103932 where: bonds (distance) C4'-P energy: -57.492 bonds (distance) P-C4' energy: -51.432 flat angles C4'-P-C4' energy: -40.079 flat angles P-C4'-P energy: -15.829 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1153.999694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.999694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.999694 (E_RNA) where: Base-Base interactions energy: -816.721 where: short stacking energy: -346.626 Base-Backbone interact. energy: 1.872 local terms energy: -339.150597 where: bonds (distance) C4'-P energy: -62.870 bonds (distance) P-C4' energy: -62.970 flat angles C4'-P-C4' energy: -69.501 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -98.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1106.770491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.770491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.770491 (E_RNA) where: Base-Base interactions energy: -788.194 where: short stacking energy: -328.720 Base-Backbone interact. energy: 1.700 local terms energy: -320.275588 where: bonds (distance) C4'-P energy: -57.817 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: -88.687 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1084.571951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.571951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.571951 (E_RNA) where: Base-Base interactions energy: -741.042 where: short stacking energy: -335.226 Base-Backbone interact. energy: -0.667 local terms energy: -342.862904 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -72.302 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: -91.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1022.198303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.198303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.198303 (E_RNA) where: Base-Base interactions energy: -712.180 where: short stacking energy: -308.874 Base-Backbone interact. energy: -0.834 local terms energy: -309.184292 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -68.664 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -48.261 tors. eta vs tors. theta energy: -79.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -982.979566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.979566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.979566 (E_RNA) where: Base-Base interactions energy: -685.392 where: short stacking energy: -314.797 Base-Backbone interact. energy: 0.270 local terms energy: -297.857091 where: bonds (distance) C4'-P energy: -47.910 bonds (distance) P-C4' energy: -51.735 flat angles C4'-P-C4' energy: -63.692 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -85.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -849.587628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.587628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.587628 (E_RNA) where: Base-Base interactions energy: -563.601 where: short stacking energy: -276.000 Base-Backbone interact. energy: -0.586 local terms energy: -285.400549 where: bonds (distance) C4'-P energy: -50.654 bonds (distance) P-C4' energy: -56.275 flat angles C4'-P-C4' energy: -65.421 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -66.500 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: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -859.233345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.233345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.233345 (E_RNA) where: Base-Base interactions energy: -582.517 where: short stacking energy: -258.218 Base-Backbone interact. energy: -0.598 local terms energy: -276.117997 where: bonds (distance) C4'-P energy: -49.750 bonds (distance) P-C4' energy: -61.012 flat angles C4'-P-C4' energy: -55.417 flat angles P-C4'-P energy: -42.356 tors. eta vs tors. theta energy: -67.583 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: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -763.808475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.808475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.808475 (E_RNA) where: Base-Base interactions energy: -493.187 where: short stacking energy: -234.978 Base-Backbone interact. energy: -1.122 local terms energy: -269.499283 where: bonds (distance) C4'-P energy: -58.177 bonds (distance) P-C4' energy: -65.180 flat angles C4'-P-C4' energy: -47.691 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: -56.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -721.911006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.911006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.911006 (E_RNA) where: Base-Base interactions energy: -498.915 where: short stacking energy: -223.120 Base-Backbone interact. energy: 1.072 local terms energy: -224.068846 where: bonds (distance) C4'-P energy: -48.202 bonds (distance) P-C4' energy: -40.917 flat angles C4'-P-C4' energy: -61.640 flat angles P-C4'-P energy: -26.895 tors. eta vs tors. theta energy: -46.416 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: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -436.757793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.757793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.757793 (E_RNA) where: Base-Base interactions energy: -253.592 where: short stacking energy: -148.886 Base-Backbone interact. energy: 1.186 local terms energy: -184.351905 where: bonds (distance) C4'-P energy: -46.953 bonds (distance) P-C4' energy: -51.560 flat angles C4'-P-C4' energy: -53.879 flat angles P-C4'-P energy: -15.197 tors. eta vs tors. theta energy: -16.763 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: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1149.774181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.774181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.774181 (E_RNA) where: Base-Base interactions energy: -791.499 where: short stacking energy: -344.728 Base-Backbone interact. energy: -3.662 local terms energy: -354.612931 where: bonds (distance) C4'-P energy: -63.448 bonds (distance) P-C4' energy: -70.055 flat angles C4'-P-C4' energy: -73.236 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -98.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1094.371022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.371022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.371022 (E_RNA) where: Base-Base interactions energy: -771.792 where: short stacking energy: -324.028 Base-Backbone interact. energy: -1.881 local terms energy: -320.697681 where: bonds (distance) C4'-P energy: -60.498 bonds (distance) P-C4' energy: -60.167 flat angles C4'-P-C4' energy: -66.880 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -88.729 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1076.119308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.119308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.119308 (E_RNA) where: Base-Base interactions energy: -752.834 where: short stacking energy: -335.368 Base-Backbone interact. energy: -1.210 local terms energy: -322.074808 where: bonds (distance) C4'-P energy: -54.974 bonds (distance) P-C4' energy: -55.820 flat angles C4'-P-C4' energy: -75.082 flat angles P-C4'-P energy: -34.868 tors. eta vs tors. theta energy: -101.330 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: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1007.655565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.655565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.655565 (E_RNA) where: Base-Base interactions energy: -692.406 where: short stacking energy: -317.117 Base-Backbone interact. energy: 0.401 local terms energy: -315.650327 where: bonds (distance) C4'-P energy: -59.205 bonds (distance) P-C4' energy: -64.432 flat angles C4'-P-C4' energy: -59.966 flat angles P-C4'-P energy: -46.430 tors. eta vs tors. theta energy: -85.618 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: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -965.316975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.316975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.316975 (E_RNA) where: Base-Base interactions energy: -662.582 where: short stacking energy: -310.735 Base-Backbone interact. energy: -0.489 local terms energy: -302.245895 where: bonds (distance) C4'-P energy: -54.362 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -65.228 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -87.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -913.146333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.146333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.146333 (E_RNA) where: Base-Base interactions energy: -640.488 where: short stacking energy: -283.667 Base-Backbone interact. energy: 0.836 local terms energy: -273.494403 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -53.850 flat angles C4'-P-C4' energy: -61.077 flat angles P-C4'-P energy: -25.711 tors. eta vs tors. theta energy: -73.792 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: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -829.823622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.823622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.823622 (E_RNA) where: Base-Base interactions energy: -554.538 where: short stacking energy: -255.557 Base-Backbone interact. energy: 0.518 local terms energy: -275.803821 where: bonds (distance) C4'-P energy: -54.031 bonds (distance) P-C4' energy: -47.753 flat angles C4'-P-C4' energy: -58.787 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -68.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -727.172126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.172126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.172126 (E_RNA) where: Base-Base interactions energy: -474.660 where: short stacking energy: -208.334 Base-Backbone interact. energy: 4.240 local terms energy: -256.752292 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -59.542 flat angles C4'-P-C4' energy: -59.860 flat angles P-C4'-P energy: -21.369 tors. eta vs tors. theta energy: -57.665 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: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -729.728683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.728683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.728683 (E_RNA) where: Base-Base interactions energy: -506.280 where: short stacking energy: -229.665 Base-Backbone interact. energy: 0.296 local terms energy: -223.744446 where: bonds (distance) C4'-P energy: -45.815 bonds (distance) P-C4' energy: -45.847 flat angles C4'-P-C4' energy: -49.447 flat angles P-C4'-P energy: -28.061 tors. eta vs tors. theta energy: -54.575 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: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -436.966322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.966322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.966322 (E_RNA) where: Base-Base interactions energy: -251.233 where: short stacking energy: -120.662 Base-Backbone interact. energy: -1.028 local terms energy: -184.705267 where: bonds (distance) C4'-P energy: -47.485 bonds (distance) P-C4' energy: -56.805 flat angles C4'-P-C4' energy: -50.991 flat angles P-C4'-P energy: -29.140 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1150.467067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.467067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.467067 (E_RNA) where: Base-Base interactions energy: -794.142 where: short stacking energy: -348.299 Base-Backbone interact. energy: -2.170 local terms energy: -354.154955 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -67.458 flat angles C4'-P-C4' energy: -74.660 flat angles P-C4'-P energy: -52.786 tors. eta vs tors. theta energy: -90.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1096.842770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.842770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.842770 (E_RNA) where: Base-Base interactions energy: -775.991 where: short stacking energy: -340.616 Base-Backbone interact. energy: -3.797 local terms energy: -317.054049 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -74.488 flat angles P-C4'-P energy: -33.266 tors. eta vs tors. theta energy: -96.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1069.042364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.042364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.042364 (E_RNA) where: Base-Base interactions energy: -726.822 where: short stacking energy: -335.869 Base-Backbone interact. energy: -0.511 local terms energy: -341.709175 where: bonds (distance) C4'-P energy: -51.533 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -75.332 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -97.254 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: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1004.516607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.516607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.516607 (E_RNA) where: Base-Base interactions energy: -693.509 where: short stacking energy: -293.135 Base-Backbone interact. energy: -1.382 local terms energy: -309.625729 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -39.372 tors. eta vs tors. theta energy: -84.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -946.674328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.674328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.674328 (E_RNA) where: Base-Base interactions energy: -648.952 where: short stacking energy: -285.147 Base-Backbone interact. energy: -0.782 local terms energy: -296.940102 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -56.599 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -79.909 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: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -917.491269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.491269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.491269 (E_RNA) where: Base-Base interactions energy: -638.584 where: short stacking energy: -279.185 Base-Backbone interact. energy: 3.333 local terms energy: -282.240486 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -53.814 flat angles C4'-P-C4' energy: -68.795 flat angles P-C4'-P energy: -31.443 tors. eta vs tors. theta energy: -72.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -840.045901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.045901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.045901 (E_RNA) where: Base-Base interactions energy: -562.191 where: short stacking energy: -274.901 Base-Backbone interact. energy: -1.271 local terms energy: -276.583327 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -61.816 flat angles P-C4'-P energy: -30.039 tors. eta vs tors. theta energy: -71.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -682.220727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.220727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.220727 (E_RNA) where: Base-Base interactions energy: -422.734 where: short stacking energy: -199.913 Base-Backbone interact. energy: -2.422 local terms energy: -257.064008 where: bonds (distance) C4'-P energy: -45.426 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -56.737 flat angles P-C4'-P energy: -41.718 tors. eta vs tors. theta energy: -56.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -700.549520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.549520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.549520 (E_RNA) where: Base-Base interactions energy: -457.448 where: short stacking energy: -202.774 Base-Backbone interact. energy: 0.354 local terms energy: -243.455034 where: bonds (distance) C4'-P energy: -48.254 bonds (distance) P-C4' energy: -51.633 flat angles C4'-P-C4' energy: -47.344 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -47.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -376.238779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.238779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.238779 (E_RNA) where: Base-Base interactions energy: -184.855 where: short stacking energy: -116.457 Base-Backbone interact. energy: -0.101 local terms energy: -191.282279 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -51.736 flat angles C4'-P-C4' energy: -31.626 flat angles P-C4'-P energy: -39.722 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: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1163.444527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.444527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.444527 (E_RNA) where: Base-Base interactions energy: -809.069 where: short stacking energy: -340.703 Base-Backbone interact. energy: -3.626 local terms energy: -350.750285 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -63.597 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -94.570 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: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1098.348699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.348699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.348699 (E_RNA) where: Base-Base interactions energy: -763.640 where: short stacking energy: -317.472 Base-Backbone interact. energy: -1.718 local terms energy: -332.990541 where: bonds (distance) C4'-P energy: -59.851 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -69.491 flat angles P-C4'-P energy: -39.249 tors. eta vs tors. theta energy: -94.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1029.539907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.539907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.539907 (E_RNA) where: Base-Base interactions energy: -701.185 where: short stacking energy: -316.985 Base-Backbone interact. energy: 1.896 local terms energy: -330.251250 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -64.775 flat angles C4'-P-C4' energy: -61.355 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -90.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1001.075855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.075855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.075855 (E_RNA) where: Base-Base interactions energy: -696.596 where: short stacking energy: -293.546 Base-Backbone interact. energy: -0.720 local terms energy: -303.759764 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -56.855 flat angles C4'-P-C4' energy: -67.435 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: -78.946 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: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -963.142260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.142260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.142260 (E_RNA) where: Base-Base interactions energy: -662.774 where: short stacking energy: -300.464 Base-Backbone interact. energy: -0.272 local terms energy: -300.096943 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -57.836 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: -74.915 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: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -902.716357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.716357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.716357 (E_RNA) where: Base-Base interactions energy: -608.164 where: short stacking energy: -263.264 Base-Backbone interact. energy: -0.844 local terms energy: -293.708300 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -66.618 flat angles C4'-P-C4' energy: -67.596 flat angles P-C4'-P energy: -33.029 tors. eta vs tors. theta energy: -71.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -832.601988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.601988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.601988 (E_RNA) where: Base-Base interactions energy: -586.324 where: short stacking energy: -270.910 Base-Backbone interact. energy: -0.038 local terms energy: -246.240402 where: bonds (distance) C4'-P energy: -36.095 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -56.430 flat angles P-C4'-P energy: -30.078 tors. eta vs tors. theta energy: -64.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -732.416414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.416414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.416414 (E_RNA) where: Base-Base interactions energy: -480.085 where: short stacking energy: -232.516 Base-Backbone interact. energy: -0.970 local terms energy: -251.360757 where: bonds (distance) C4'-P energy: -42.361 bonds (distance) P-C4' energy: -57.861 flat angles C4'-P-C4' energy: -51.644 flat angles P-C4'-P energy: -43.960 tors. eta vs tors. theta energy: -55.535 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: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -667.290033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.290033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.290033 (E_RNA) where: Base-Base interactions energy: -445.894 where: short stacking energy: -182.769 Base-Backbone interact. energy: 0.131 local terms energy: -221.526548 where: bonds (distance) C4'-P energy: -47.333 bonds (distance) P-C4' energy: -53.692 flat angles C4'-P-C4' energy: -57.429 flat angles P-C4'-P energy: -35.191 tors. eta vs tors. theta energy: -27.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -416.841315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.841315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.841315 (E_RNA) where: Base-Base interactions energy: -221.457 where: short stacking energy: -125.077 Base-Backbone interact. energy: -0.322 local terms energy: -195.061947 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -45.842 flat angles C4'-P-C4' energy: -43.222 flat angles P-C4'-P energy: -28.791 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: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1160.888102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.888102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.888102 (E_RNA) where: Base-Base interactions energy: -824.515 where: short stacking energy: -359.435 Base-Backbone interact. energy: -0.807 local terms energy: -335.566254 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -58.152 flat angles C4'-P-C4' energy: -75.166 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -97.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1110.111613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.111613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.111613 (E_RNA) where: Base-Base interactions energy: -784.762 where: short stacking energy: -338.993 Base-Backbone interact. energy: -2.143 local terms energy: -323.206354 where: bonds (distance) C4'-P energy: -60.343 bonds (distance) P-C4' energy: -53.964 flat angles C4'-P-C4' energy: -72.471 flat angles P-C4'-P energy: -40.609 tors. eta vs tors. theta energy: -95.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1012.667957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.667957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.667957 (E_RNA) where: Base-Base interactions energy: -695.086 where: short stacking energy: -309.409 Base-Backbone interact. energy: -1.562 local terms energy: -316.020327 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -62.677 flat angles P-C4'-P energy: -40.947 tors. eta vs tors. theta energy: -83.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1044.726937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.726937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.726937 (E_RNA) where: Base-Base interactions energy: -721.702 where: short stacking energy: -325.135 Base-Backbone interact. energy: 0.494 local terms energy: -323.518597 where: bonds (distance) C4'-P energy: -62.890 bonds (distance) P-C4' energy: -58.262 flat angles C4'-P-C4' energy: -69.290 flat angles P-C4'-P energy: -40.428 tors. eta vs tors. theta energy: -92.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -969.409105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.409105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.409105 (E_RNA) where: Base-Base interactions energy: -658.388 where: short stacking energy: -301.352 Base-Backbone interact. energy: -2.325 local terms energy: -308.696507 where: bonds (distance) C4'-P energy: -51.423 bonds (distance) P-C4' energy: -69.084 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -39.692 tors. eta vs tors. theta energy: -79.351 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: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -912.444549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.444549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.444549 (E_RNA) where: Base-Base interactions energy: -630.097 where: short stacking energy: -284.300 Base-Backbone interact. energy: 2.422 local terms energy: -284.769082 where: bonds (distance) C4'-P energy: -47.982 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -63.984 flat angles P-C4'-P energy: -38.361 tors. eta vs tors. theta energy: -75.579 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: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -874.680241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.680241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.680241 (E_RNA) where: Base-Base interactions energy: -584.826 where: short stacking energy: -273.540 Base-Backbone interact. energy: -1.886 local terms energy: -287.968331 where: bonds (distance) C4'-P energy: -55.626 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -56.945 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -66.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -746.173459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.173459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.173459 (E_RNA) where: Base-Base interactions energy: -482.429 where: short stacking energy: -215.419 Base-Backbone interact. energy: -0.410 local terms energy: -263.333887 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -58.202 flat angles P-C4'-P energy: -35.992 tors. eta vs tors. theta energy: -51.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -733.869512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.869512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.869512 (E_RNA) where: Base-Base interactions energy: -489.959 where: short stacking energy: -220.350 Base-Backbone interact. energy: 0.226 local terms energy: -244.136464 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -54.486 flat angles C4'-P-C4' energy: -49.804 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: -48.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -464.840422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.840422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.840422 (E_RNA) where: Base-Base interactions energy: -272.487 where: short stacking energy: -158.416 Base-Backbone interact. energy: 2.075 local terms energy: -194.428898 where: bonds (distance) C4'-P energy: -49.722 bonds (distance) P-C4' energy: -59.855 flat angles C4'-P-C4' energy: -42.416 flat angles P-C4'-P energy: -23.739 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: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1134.390634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.390634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.390634 (E_RNA) where: Base-Base interactions energy: -784.658 where: short stacking energy: -346.473 Base-Backbone interact. energy: -1.280 local terms energy: -348.452886 where: bonds (distance) C4'-P energy: -64.273 bonds (distance) P-C4' energy: -65.399 flat angles C4'-P-C4' energy: -72.550 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -97.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1115.161059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.161059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.161059 (E_RNA) where: Base-Base interactions energy: -785.689 where: short stacking energy: -325.666 Base-Backbone interact. energy: -1.850 local terms energy: -327.622218 where: bonds (distance) C4'-P energy: -65.442 bonds (distance) P-C4' energy: -67.257 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -39.427 tors. eta vs tors. theta energy: -93.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1026.844843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.844843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.844843 (E_RNA) where: Base-Base interactions energy: -707.970 where: short stacking energy: -325.869 Base-Backbone interact. energy: -0.930 local terms energy: -317.944978 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -58.168 flat angles C4'-P-C4' energy: -67.691 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -90.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1054.812874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.812874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.812874 (E_RNA) where: Base-Base interactions energy: -729.907 where: short stacking energy: -313.715 Base-Backbone interact. energy: -0.380 local terms energy: -324.525584 where: bonds (distance) C4'-P energy: -70.304 bonds (distance) P-C4' energy: -54.942 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: -93.351 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: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -975.894449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.894449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.894449 (E_RNA) where: Base-Base interactions energy: -659.557 where: short stacking energy: -281.399 Base-Backbone interact. energy: -1.295 local terms energy: -315.042392 where: bonds (distance) C4'-P energy: -56.466 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -64.466 flat angles P-C4'-P energy: -49.816 tors. eta vs tors. theta energy: -81.326 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: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -934.722255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.722255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.722255 (E_RNA) where: Base-Base interactions energy: -645.264 where: short stacking energy: -298.206 Base-Backbone interact. energy: 1.534 local terms energy: -290.991948 where: bonds (distance) C4'-P energy: -58.332 bonds (distance) P-C4' energy: -55.655 flat angles C4'-P-C4' energy: -57.159 flat angles P-C4'-P energy: -47.489 tors. eta vs tors. theta energy: -72.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -845.674443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.674443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.674443 (E_RNA) where: Base-Base interactions energy: -573.047 where: short stacking energy: -261.295 Base-Backbone interact. energy: 0.528 local terms energy: -273.155494 where: bonds (distance) C4'-P energy: -48.954 bonds (distance) P-C4' energy: -55.918 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -40.248 tors. eta vs tors. theta energy: -64.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -770.915581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.915581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.915581 (E_RNA) where: Base-Base interactions energy: -534.823 where: short stacking energy: -214.995 Base-Backbone interact. energy: 1.360 local terms energy: -237.452564 where: bonds (distance) C4'-P energy: -51.200 bonds (distance) P-C4' energy: -55.767 flat angles C4'-P-C4' energy: -48.721 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -47.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -723.042180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.042180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.042180 (E_RNA) where: Base-Base interactions energy: -475.576 where: short stacking energy: -226.081 Base-Backbone interact. energy: -0.939 local terms energy: -246.526856 where: bonds (distance) C4'-P energy: -47.452 bonds (distance) P-C4' energy: -45.796 flat angles C4'-P-C4' energy: -54.718 flat angles P-C4'-P energy: -42.073 tors. eta vs tors. theta energy: -56.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -475.342058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.342058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.342058 (E_RNA) where: Base-Base interactions energy: -272.816 where: short stacking energy: -133.973 Base-Backbone interact. energy: -0.825 local terms energy: -201.701138 where: bonds (distance) C4'-P energy: -54.461 bonds (distance) P-C4' energy: -53.888 flat angles C4'-P-C4' energy: -44.252 flat angles P-C4'-P energy: -25.894 tors. eta vs tors. theta energy: -23.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1154.654036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.654036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.654036 (E_RNA) where: Base-Base interactions energy: -809.998 where: short stacking energy: -345.844 Base-Backbone interact. energy: -2.126 local terms energy: -342.529807 where: bonds (distance) C4'-P energy: -67.077 bonds (distance) P-C4' energy: -61.973 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -46.922 tors. eta vs tors. theta energy: -97.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1081.055833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.055833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.055833 (E_RNA) where: Base-Base interactions energy: -742.015 where: short stacking energy: -316.519 Base-Backbone interact. energy: -1.654 local terms energy: -337.386861 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -65.062 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -42.768 tors. eta vs tors. theta energy: -84.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1039.241254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.241254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.241254 (E_RNA) where: Base-Base interactions energy: -704.966 where: short stacking energy: -321.019 Base-Backbone interact. energy: -1.539 local terms energy: -332.737036 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -60.286 flat angles C4'-P-C4' energy: -74.678 flat angles P-C4'-P energy: -44.075 tors. eta vs tors. theta energy: -92.901 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -996.552443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.552443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.552443 (E_RNA) where: Base-Base interactions energy: -677.203 where: short stacking energy: -303.221 Base-Backbone interact. energy: -0.733 local terms energy: -318.616971 where: bonds (distance) C4'-P energy: -63.554 bonds (distance) P-C4' energy: -61.692 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -42.659 tors. eta vs tors. theta energy: -84.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -952.853346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.853346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.853346 (E_RNA) where: Base-Base interactions energy: -660.098 where: short stacking energy: -280.397 Base-Backbone interact. energy: 0.455 local terms energy: -293.211156 where: bonds (distance) C4'-P energy: -53.904 bonds (distance) P-C4' energy: -61.643 flat angles C4'-P-C4' energy: -58.460 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -77.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -966.238199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.238199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.238199 (E_RNA) where: Base-Base interactions energy: -663.265 where: short stacking energy: -280.371 Base-Backbone interact. energy: -2.255 local terms energy: -300.718647 where: bonds (distance) C4'-P energy: -61.332 bonds (distance) P-C4' energy: -57.701 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -75.809 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: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -847.935358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.935358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.935358 (E_RNA) where: Base-Base interactions energy: -570.214 where: short stacking energy: -273.575 Base-Backbone interact. energy: -1.219 local terms energy: -276.501786 where: bonds (distance) C4'-P energy: -40.986 bonds (distance) P-C4' energy: -59.781 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -64.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -822.072517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.072517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.072517 (E_RNA) where: Base-Base interactions energy: -557.479 where: short stacking energy: -253.673 Base-Backbone interact. energy: 1.307 local terms energy: -265.900855 where: bonds (distance) C4'-P energy: -42.505 bonds (distance) P-C4' energy: -58.979 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -40.351 tors. eta vs tors. theta energy: -63.293 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: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -755.229240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.229240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.229240 (E_RNA) where: Base-Base interactions energy: -507.581 where: short stacking energy: -243.352 Base-Backbone interact. energy: -0.835 local terms energy: -246.813504 where: bonds (distance) C4'-P energy: -49.338 bonds (distance) P-C4' energy: -53.031 flat angles C4'-P-C4' energy: -55.773 flat angles P-C4'-P energy: -36.126 tors. eta vs tors. theta energy: -52.545 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: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -491.409990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.409990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.409990 (E_RNA) where: Base-Base interactions energy: -277.614 where: short stacking energy: -141.992 Base-Backbone interact. energy: 2.006 local terms energy: -215.802034 where: bonds (distance) C4'-P energy: -52.770 bonds (distance) P-C4' energy: -59.788 flat angles C4'-P-C4' energy: -46.160 flat angles P-C4'-P energy: -35.115 tors. eta vs tors. theta energy: -21.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1136.362204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.362204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.362204 (E_RNA) where: Base-Base interactions energy: -800.093 where: short stacking energy: -353.275 Base-Backbone interact. energy: -1.723 local terms energy: -334.545775 where: bonds (distance) C4'-P energy: -60.376 bonds (distance) P-C4' energy: -55.759 flat angles C4'-P-C4' energy: -73.922 flat angles P-C4'-P energy: -42.646 tors. eta vs tors. theta energy: -101.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1092.293432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.293432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.293432 (E_RNA) where: Base-Base interactions energy: -768.722 where: short stacking energy: -323.053 Base-Backbone interact. energy: -1.119 local terms energy: -322.452128 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -53.743 flat angles C4'-P-C4' energy: -71.153 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -96.226 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: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1064.912687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.912687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.912687 (E_RNA) where: Base-Base interactions energy: -735.486 where: short stacking energy: -327.465 Base-Backbone interact. energy: -0.278 local terms energy: -329.148927 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -95.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1002.855384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.855384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.855384 (E_RNA) where: Base-Base interactions energy: -688.949 where: short stacking energy: -317.108 Base-Backbone interact. energy: 0.331 local terms energy: -314.237341 where: bonds (distance) C4'-P energy: -52.415 bonds (distance) P-C4' energy: -61.190 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -39.343 tors. eta vs tors. theta energy: -87.885 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: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -958.314822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.314822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.314822 (E_RNA) where: Base-Base interactions energy: -681.913 where: short stacking energy: -281.401 Base-Backbone interact. energy: -0.694 local terms energy: -275.707574 where: bonds (distance) C4'-P energy: -47.856 bonds (distance) P-C4' energy: -46.217 flat angles C4'-P-C4' energy: -61.717 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -76.037 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: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -851.599035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.599035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.599035 (E_RNA) where: Base-Base interactions energy: -577.221 where: short stacking energy: -269.559 Base-Backbone interact. energy: 0.391 local terms energy: -274.768385 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -55.751 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -69.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -908.397961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.397961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.397961 (E_RNA) where: Base-Base interactions energy: -636.242 where: short stacking energy: -297.331 Base-Backbone interact. energy: -1.655 local terms energy: -270.501254 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -51.121 flat angles C4'-P-C4' energy: -59.726 flat angles P-C4'-P energy: -25.669 tors. eta vs tors. theta energy: -77.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -819.739576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.739576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.739576 (E_RNA) where: Base-Base interactions energy: -577.018 where: short stacking energy: -223.609 Base-Backbone interact. energy: 6.374 local terms energy: -249.095687 where: bonds (distance) C4'-P energy: -55.538 bonds (distance) P-C4' energy: -44.997 flat angles C4'-P-C4' energy: -61.535 flat angles P-C4'-P energy: -41.899 tors. eta vs tors. theta energy: -45.127 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: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -719.036523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.036523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.036523 (E_RNA) where: Base-Base interactions energy: -492.594 where: short stacking energy: -234.757 Base-Backbone interact. energy: 1.160 local terms energy: -227.602015 where: bonds (distance) C4'-P energy: -39.465 bonds (distance) P-C4' energy: -58.838 flat angles C4'-P-C4' energy: -49.562 flat angles P-C4'-P energy: -22.240 tors. eta vs tors. theta energy: -57.497 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: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -509.699297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.699297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.699297 (E_RNA) where: Base-Base interactions energy: -301.262 where: short stacking energy: -161.548 Base-Backbone interact. energy: 1.286 local terms energy: -209.723775 where: bonds (distance) C4'-P energy: -49.406 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -42.872 flat angles P-C4'-P energy: -28.261 tors. eta vs tors. theta energy: -30.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1171.419252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.419252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.419252 (E_RNA) where: Base-Base interactions energy: -803.451 where: short stacking energy: -357.499 Base-Backbone interact. energy: -1.333 local terms energy: -366.635302 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -73.878 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -52.379 tors. eta vs tors. theta energy: -101.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1105.398289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.398289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.398289 (E_RNA) where: Base-Base interactions energy: -761.018 where: short stacking energy: -317.245 Base-Backbone interact. energy: -0.957 local terms energy: -343.422892 where: bonds (distance) C4'-P energy: -64.339 bonds (distance) P-C4' energy: -65.497 flat angles C4'-P-C4' energy: -78.172 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -86.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1010.925736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.925736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.925736 (E_RNA) where: Base-Base interactions energy: -675.951 where: short stacking energy: -308.481 Base-Backbone interact. energy: -1.477 local terms energy: -333.498045 where: bonds (distance) C4'-P energy: -64.223 bonds (distance) P-C4' energy: -59.455 flat angles C4'-P-C4' energy: -65.602 flat angles P-C4'-P energy: -49.478 tors. eta vs tors. theta energy: -94.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1038.357208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.357208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.357208 (E_RNA) where: Base-Base interactions energy: -708.134 where: short stacking energy: -321.022 Base-Backbone interact. energy: -0.680 local terms energy: -329.542638 where: bonds (distance) C4'-P energy: -49.307 bonds (distance) P-C4' energy: -67.534 flat angles C4'-P-C4' energy: -72.233 flat angles P-C4'-P energy: -42.987 tors. eta vs tors. theta energy: -97.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -943.243243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.243243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.243243 (E_RNA) where: Base-Base interactions energy: -659.465 where: short stacking energy: -282.188 Base-Backbone interact. energy: -0.296 local terms energy: -283.482132 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -60.374 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -71.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -838.106954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.106954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.106954 (E_RNA) where: Base-Base interactions energy: -547.933 where: short stacking energy: -265.870 Base-Backbone interact. energy: -1.480 local terms energy: -288.693875 where: bonds (distance) C4'-P energy: -56.906 bonds (distance) P-C4' energy: -56.247 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -67.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -875.187608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.187608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.187608 (E_RNA) where: Base-Base interactions energy: -587.583 where: short stacking energy: -249.469 Base-Backbone interact. energy: -1.197 local terms energy: -286.406763 where: bonds (distance) C4'-P energy: -59.771 bonds (distance) P-C4' energy: -73.062 flat angles C4'-P-C4' energy: -51.937 flat angles P-C4'-P energy: -38.081 tors. eta vs tors. theta energy: -63.556 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: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -807.872675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.872675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.872675 (E_RNA) where: Base-Base interactions energy: -545.114 where: short stacking energy: -240.716 Base-Backbone interact. energy: -0.317 local terms energy: -262.441141 where: bonds (distance) C4'-P energy: -49.831 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -50.060 flat angles P-C4'-P energy: -35.360 tors. eta vs tors. theta energy: -59.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -726.820608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.820608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.820608 (E_RNA) where: Base-Base interactions energy: -474.301 where: short stacking energy: -210.086 Base-Backbone interact. energy: 0.299 local terms energy: -252.817915 where: bonds (distance) C4'-P energy: -44.318 bonds (distance) P-C4' energy: -52.900 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -32.311 tors. eta vs tors. theta energy: -60.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -552.886814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.886814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.886814 (E_RNA) where: Base-Base interactions energy: -349.425 where: short stacking energy: -162.685 Base-Backbone interact. energy: -1.347 local terms energy: -202.114562 where: bonds (distance) C4'-P energy: -46.167 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -50.868 flat angles P-C4'-P energy: -13.709 tors. eta vs tors. theta energy: -28.905 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: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1149.919354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.919354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.919354 (E_RNA) where: Base-Base interactions energy: -797.835 where: short stacking energy: -351.442 Base-Backbone interact. energy: -1.451 local terms energy: -350.632994 where: bonds (distance) C4'-P energy: -62.694 bonds (distance) P-C4' energy: -68.601 flat angles C4'-P-C4' energy: -70.933 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -98.600 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: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1107.916939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.916939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.916939 (E_RNA) where: Base-Base interactions energy: -772.152 where: short stacking energy: -325.631 Base-Backbone interact. energy: -1.032 local terms energy: -334.732996 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -58.229 flat angles C4'-P-C4' energy: -76.355 flat angles P-C4'-P energy: -42.348 tors. eta vs tors. theta energy: -92.080 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: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1039.843683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.843683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.843683 (E_RNA) where: Base-Base interactions energy: -707.557 where: short stacking energy: -318.213 Base-Backbone interact. energy: -0.566 local terms energy: -331.721124 where: bonds (distance) C4'-P energy: -66.150 bonds (distance) P-C4' energy: -56.736 flat angles C4'-P-C4' energy: -69.407 flat angles P-C4'-P energy: -47.558 tors. eta vs tors. theta energy: -91.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1007.626821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.626821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.626821 (E_RNA) where: Base-Base interactions energy: -671.284 where: short stacking energy: -317.365 Base-Backbone interact. energy: -0.095 local terms energy: -336.247936 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -75.511 flat angles P-C4'-P energy: -39.053 tors. eta vs tors. theta energy: -100.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -951.378180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.378180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.378180 (E_RNA) where: Base-Base interactions energy: -639.212 where: short stacking energy: -288.362 Base-Backbone interact. energy: -1.034 local terms energy: -311.132022 where: bonds (distance) C4'-P energy: -58.930 bonds (distance) P-C4' energy: -58.988 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -39.719 tors. eta vs tors. theta energy: -82.538 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: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -918.536565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.536565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.536565 (E_RNA) where: Base-Base interactions energy: -619.464 where: short stacking energy: -279.851 Base-Backbone interact. energy: -0.323 local terms energy: -298.749239 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -54.299 flat angles C4'-P-C4' energy: -62.955 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -75.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -845.292053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.292053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.292053 (E_RNA) where: Base-Base interactions energy: -588.058 where: short stacking energy: -262.771 Base-Backbone interact. energy: 0.046 local terms energy: -257.279846 where: bonds (distance) C4'-P energy: -48.117 bonds (distance) P-C4' energy: -40.865 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: -54.631 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: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -809.195946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.195946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.195946 (E_RNA) where: Base-Base interactions energy: -547.957 where: short stacking energy: -247.333 Base-Backbone interact. energy: -1.548 local terms energy: -259.691032 where: bonds (distance) C4'-P energy: -53.857 bonds (distance) P-C4' energy: -53.995 flat angles C4'-P-C4' energy: -52.090 flat angles P-C4'-P energy: -27.420 tors. eta vs tors. theta energy: -72.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -712.778296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.778296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.778296 (E_RNA) where: Base-Base interactions energy: -475.028 where: short stacking energy: -222.385 Base-Backbone interact. energy: -0.126 local terms energy: -237.624419 where: bonds (distance) C4'-P energy: -51.815 bonds (distance) P-C4' energy: -48.576 flat angles C4'-P-C4' energy: -50.674 flat angles P-C4'-P energy: -31.474 tors. eta vs tors. theta energy: -55.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -556.883229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.883229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.883229 (E_RNA) where: Base-Base interactions energy: -342.582 where: short stacking energy: -168.954 Base-Backbone interact. energy: -0.354 local terms energy: -213.946340 where: bonds (distance) C4'-P energy: -57.976 bonds (distance) P-C4' energy: -52.147 flat angles C4'-P-C4' energy: -51.771 flat angles P-C4'-P energy: -34.130 tors. eta vs tors. theta energy: -17.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1140.758760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.758760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.758760 (E_RNA) where: Base-Base interactions energy: -791.666 where: short stacking energy: -345.342 Base-Backbone interact. energy: -3.063 local terms energy: -346.029414 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -63.568 flat angles C4'-P-C4' energy: -74.145 flat angles P-C4'-P energy: -48.212 tors. eta vs tors. theta energy: -95.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1094.493122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.493122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.493122 (E_RNA) where: Base-Base interactions energy: -774.868 where: short stacking energy: -317.799 Base-Backbone interact. energy: -2.715 local terms energy: -316.910112 where: bonds (distance) C4'-P energy: -61.789 bonds (distance) P-C4' energy: -56.943 flat angles C4'-P-C4' energy: -71.974 flat angles P-C4'-P energy: -42.182 tors. eta vs tors. theta energy: -84.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1028.387081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.387081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.387081 (E_RNA) where: Base-Base interactions energy: -707.692 where: short stacking energy: -324.630 Base-Backbone interact. energy: -1.218 local terms energy: -319.476821 where: bonds (distance) C4'-P energy: -58.968 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -65.611 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: -85.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1035.663621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.663621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.663621 (E_RNA) where: Base-Base interactions energy: -708.874 where: short stacking energy: -330.106 Base-Backbone interact. energy: -0.599 local terms energy: -326.191456 where: bonds (distance) C4'-P energy: -63.229 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -63.673 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -90.508 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: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -978.578912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.578912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.578912 (E_RNA) where: Base-Base interactions energy: -670.148 where: short stacking energy: -297.958 Base-Backbone interact. energy: -0.316 local terms energy: -308.115033 where: bonds (distance) C4'-P energy: -56.626 bonds (distance) P-C4' energy: -57.131 flat angles C4'-P-C4' energy: -67.022 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -81.812 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: 252 Temperature: 1.150000 Total energy: -931.050792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.050792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.050792 (E_RNA) where: Base-Base interactions energy: -640.038 where: short stacking energy: -281.261 Base-Backbone interact. energy: -0.609 local terms energy: -290.403599 where: bonds (distance) C4'-P energy: -52.810 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -42.214 tors. eta vs tors. theta energy: -78.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -822.859254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.859254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.859254 (E_RNA) where: Base-Base interactions energy: -567.895 where: short stacking energy: -245.910 Base-Backbone interact. energy: -2.110 local terms energy: -252.854096 where: bonds (distance) C4'-P energy: -47.293 bonds (distance) P-C4' energy: -68.631 flat angles C4'-P-C4' energy: -51.848 flat angles P-C4'-P energy: -28.824 tors. eta vs tors. theta energy: -56.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -789.004493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.004493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.004493 (E_RNA) where: Base-Base interactions energy: -521.348 where: short stacking energy: -226.102 Base-Backbone interact. energy: 1.192 local terms energy: -268.848622 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -59.573 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -36.914 tors. eta vs tors. theta energy: -50.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -762.209740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.209740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.209740 (E_RNA) where: Base-Base interactions energy: -509.907 where: short stacking energy: -240.938 Base-Backbone interact. energy: 0.654 local terms energy: -252.956720 where: bonds (distance) C4'-P energy: -48.583 bonds (distance) P-C4' energy: -48.757 flat angles C4'-P-C4' energy: -57.170 flat angles P-C4'-P energy: -37.536 tors. eta vs tors. theta energy: -60.911 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: 252 Temperature: 1.350000 Total energy: -537.067594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.067594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.067594 (E_RNA) where: Base-Base interactions energy: -340.322 where: short stacking energy: -176.725 Base-Backbone interact. energy: -0.708 local terms energy: -196.037660 where: bonds (distance) C4'-P energy: -41.904 bonds (distance) P-C4' energy: -46.464 flat angles C4'-P-C4' energy: -55.634 flat angles P-C4'-P energy: -28.365 tors. eta vs tors. theta energy: -23.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1153.521489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.521489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.521489 (E_RNA) where: Base-Base interactions energy: -816.549 where: short stacking energy: -346.392 Base-Backbone interact. energy: 2.899 local terms energy: -339.870944 where: bonds (distance) C4'-P energy: -55.065 bonds (distance) P-C4' energy: -64.047 flat angles C4'-P-C4' energy: -70.804 flat angles P-C4'-P energy: -54.629 tors. eta vs tors. theta energy: -95.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1122.392632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.392632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.392632 (E_RNA) where: Base-Base interactions energy: -792.387 where: short stacking energy: -332.709 Base-Backbone interact. energy: -2.572 local terms energy: -327.433277 where: bonds (distance) C4'-P energy: -57.118 bonds (distance) P-C4' energy: -66.140 flat angles C4'-P-C4' energy: -77.938 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -91.064 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: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1021.759374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.759374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.759374 (E_RNA) where: Base-Base interactions energy: -701.107 where: short stacking energy: -321.157 Base-Backbone interact. energy: -2.677 local terms energy: -317.975677 where: bonds (distance) C4'-P energy: -56.260 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -50.267 tors. eta vs tors. theta energy: -84.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -968.629977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.629977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.629977 (E_RNA) where: Base-Base interactions energy: -666.570 where: short stacking energy: -286.144 Base-Backbone interact. energy: -0.432 local terms energy: -301.628551 where: bonds (distance) C4'-P energy: -66.602 bonds (distance) P-C4' energy: -54.262 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -45.649 tors. eta vs tors. theta energy: -70.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1021.221480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.221480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.221480 (E_RNA) where: Base-Base interactions energy: -713.417 where: short stacking energy: -332.800 Base-Backbone interact. energy: 1.149 local terms energy: -308.953496 where: bonds (distance) C4'-P energy: -49.657 bonds (distance) P-C4' energy: -54.420 flat angles C4'-P-C4' energy: -70.284 flat angles P-C4'-P energy: -44.387 tors. eta vs tors. theta energy: -90.206 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: 7 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -916.155640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.155640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.155640 (E_RNA) where: Base-Base interactions energy: -633.891 where: short stacking energy: -269.765 Base-Backbone interact. energy: -1.319 local terms energy: -280.944987 where: bonds (distance) C4'-P energy: -62.474 bonds (distance) P-C4' energy: -57.406 flat angles C4'-P-C4' energy: -58.228 flat angles P-C4'-P energy: -36.903 tors. eta vs tors. theta energy: -65.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -843.836874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.836874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.836874 (E_RNA) where: Base-Base interactions energy: -553.510 where: short stacking energy: -245.148 Base-Backbone interact. energy: -0.325 local terms energy: -290.001530 where: bonds (distance) C4'-P energy: -64.938 bonds (distance) P-C4' energy: -53.802 flat angles C4'-P-C4' energy: -60.946 flat angles P-C4'-P energy: -44.655 tors. eta vs tors. theta energy: -65.660 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: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -810.249007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.249007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.249007 (E_RNA) where: Base-Base interactions energy: -553.212 where: short stacking energy: -260.352 Base-Backbone interact. energy: 0.773 local terms energy: -257.810017 where: bonds (distance) C4'-P energy: -50.848 bonds (distance) P-C4' energy: -50.754 flat angles C4'-P-C4' energy: -54.890 flat angles P-C4'-P energy: -35.144 tors. eta vs tors. theta energy: -66.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -755.258230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.258230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.258230 (E_RNA) where: Base-Base interactions energy: -517.011 where: short stacking energy: -217.291 Base-Backbone interact. energy: 4.777 local terms energy: -243.024086 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -39.232 flat angles C4'-P-C4' energy: -56.271 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: -42.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -474.686546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.686546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.686546 (E_RNA) where: Base-Base interactions energy: -294.103 where: short stacking energy: -141.933 Base-Backbone interact. energy: 2.860 local terms energy: -183.444354 where: bonds (distance) C4'-P energy: -50.500 bonds (distance) P-C4' energy: -48.093 flat angles C4'-P-C4' energy: -50.269 flat angles P-C4'-P energy: -23.309 tors. eta vs tors. theta energy: -11.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1142.981561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.981561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.981561 (E_RNA) where: Base-Base interactions energy: -781.922 where: short stacking energy: -330.116 Base-Backbone interact. energy: -0.884 local terms energy: -360.175631 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -77.957 flat angles P-C4'-P energy: -54.537 tors. eta vs tors. theta energy: -91.566 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: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1131.500172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.500172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.500172 (E_RNA) where: Base-Base interactions energy: -807.121 where: short stacking energy: -336.574 Base-Backbone interact. energy: 1.890 local terms energy: -326.268814 where: bonds (distance) C4'-P energy: -63.084 bonds (distance) P-C4' energy: -61.774 flat angles C4'-P-C4' energy: -69.903 flat angles P-C4'-P energy: -39.300 tors. eta vs tors. theta energy: -92.207 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: 254 Temperature: 1.000000 Total energy: -1012.914215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.914215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.914215 (E_RNA) where: Base-Base interactions energy: -679.036 where: short stacking energy: -311.875 Base-Backbone interact. energy: -0.931 local terms energy: -332.947995 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -63.083 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -86.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -971.850291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.850291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.850291 (E_RNA) where: Base-Base interactions energy: -667.020 where: short stacking energy: -293.089 Base-Backbone interact. energy: 3.863 local terms energy: -308.693926 where: bonds (distance) C4'-P energy: -61.202 bonds (distance) P-C4' energy: -53.503 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -46.942 tors. eta vs tors. theta energy: -79.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -995.429196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.429196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.429196 (E_RNA) where: Base-Base interactions energy: -680.081 where: short stacking energy: -308.683 Base-Backbone interact. energy: -0.428 local terms energy: -314.919707 where: bonds (distance) C4'-P energy: -57.086 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -68.068 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -88.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -881.502711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.502711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.502711 (E_RNA) where: Base-Base interactions energy: -586.258 where: short stacking energy: -277.961 Base-Backbone interact. energy: 0.510 local terms energy: -295.754063 where: bonds (distance) C4'-P energy: -65.405 bonds (distance) P-C4' energy: -62.547 flat angles C4'-P-C4' energy: -54.531 flat angles P-C4'-P energy: -35.987 tors. eta vs tors. theta energy: -77.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -812.632339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.632339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.632339 (E_RNA) where: Base-Base interactions energy: -530.409 where: short stacking energy: -237.610 Base-Backbone interact. energy: -0.971 local terms energy: -281.251865 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -44.589 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -39.026 tors. eta vs tors. theta energy: -64.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -784.528350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.528350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.528350 (E_RNA) where: Base-Base interactions energy: -539.306 where: short stacking energy: -254.060 Base-Backbone interact. energy: -1.071 local terms energy: -244.151551 where: bonds (distance) C4'-P energy: -41.147 bonds (distance) P-C4' energy: -53.567 flat angles C4'-P-C4' energy: -62.334 flat angles P-C4'-P energy: -33.930 tors. eta vs tors. theta energy: -53.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -699.018446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.018446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.018446 (E_RNA) where: Base-Base interactions energy: -489.502 where: short stacking energy: -197.335 Base-Backbone interact. energy: 5.228 local terms energy: -214.745210 where: bonds (distance) C4'-P energy: -48.156 bonds (distance) P-C4' energy: -50.375 flat angles C4'-P-C4' energy: -47.127 flat angles P-C4'-P energy: -35.238 tors. eta vs tors. theta energy: -33.849 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: 254 Temperature: 1.350000 Total energy: -458.243523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.243523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.243523 (E_RNA) where: Base-Base interactions energy: -290.231 where: short stacking energy: -134.313 Base-Backbone interact. energy: 0.107 local terms energy: -168.120061 where: bonds (distance) C4'-P energy: -36.670 bonds (distance) P-C4' energy: -51.754 flat angles C4'-P-C4' energy: -40.369 flat angles P-C4'-P energy: -31.220 tors. eta vs tors. theta energy: -8.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1144.174188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.174188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.174188 (E_RNA) where: Base-Base interactions energy: -809.627 where: short stacking energy: -343.897 Base-Backbone interact. energy: -0.596 local terms energy: -333.950849 where: bonds (distance) C4'-P energy: -60.794 bonds (distance) P-C4' energy: -60.953 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -49.562 tors. eta vs tors. theta energy: -92.531 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1117.938058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.938058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.938058 (E_RNA) where: Base-Base interactions energy: -785.616 where: short stacking energy: -330.855 Base-Backbone interact. energy: -3.077 local terms energy: -329.244516 where: bonds (distance) C4'-P energy: -64.727 bonds (distance) P-C4' energy: -60.507 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -44.854 tors. eta vs tors. theta energy: -88.520 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: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1016.874885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.874885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.874885 (E_RNA) where: Base-Base interactions energy: -697.808 where: short stacking energy: -319.130 Base-Backbone interact. energy: -0.748 local terms energy: -318.319470 where: bonds (distance) C4'-P energy: -65.080 bonds (distance) P-C4' energy: -55.763 flat angles C4'-P-C4' energy: -58.385 flat angles P-C4'-P energy: -46.330 tors. eta vs tors. theta energy: -92.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1031.249980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.249980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.249980 (E_RNA) where: Base-Base interactions energy: -700.475 where: short stacking energy: -310.058 Base-Backbone interact. energy: -0.940 local terms energy: -329.835025 where: bonds (distance) C4'-P energy: -59.084 bonds (distance) P-C4' energy: -65.578 flat angles C4'-P-C4' energy: -72.322 flat angles P-C4'-P energy: -38.446 tors. eta vs tors. theta energy: -94.406 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: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -957.450757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.450757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.450757 (E_RNA) where: Base-Base interactions energy: -630.438 where: short stacking energy: -276.731 Base-Backbone interact. energy: 2.208 local terms energy: -329.220227 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -68.744 flat angles C4'-P-C4' energy: -65.436 flat angles P-C4'-P energy: -51.808 tors. eta vs tors. theta energy: -83.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -888.394290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.394290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.394290 (E_RNA) where: Base-Base interactions energy: -592.707 where: short stacking energy: -261.392 Base-Backbone interact. energy: -0.858 local terms energy: -294.829601 where: bonds (distance) C4'-P energy: -64.229 bonds (distance) P-C4' energy: -47.055 flat angles C4'-P-C4' energy: -64.262 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: -68.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -823.084426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.084426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.084426 (E_RNA) where: Base-Base interactions energy: -541.916 where: short stacking energy: -281.491 Base-Backbone interact. energy: 0.630 local terms energy: -281.798928 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -43.614 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: -80.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -747.793028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.793028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.793028 (E_RNA) where: Base-Base interactions energy: -505.141 where: short stacking energy: -215.261 Base-Backbone interact. energy: -1.288 local terms energy: -241.363700 where: bonds (distance) C4'-P energy: -38.234 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -32.183 tors. eta vs tors. theta energy: -45.298 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: 255 Temperature: 1.300000 Total energy: -751.251716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.251716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.251716 (E_RNA) where: Base-Base interactions energy: -529.878 where: short stacking energy: -206.847 Base-Backbone interact. energy: -0.382 local terms energy: -220.992085 where: bonds (distance) C4'-P energy: -57.011 bonds (distance) P-C4' energy: -42.852 flat angles C4'-P-C4' energy: -42.877 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -40.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -500.674472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.674472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.674472 (E_RNA) where: Base-Base interactions energy: -290.457 where: short stacking energy: -150.204 Base-Backbone interact. energy: -1.665 local terms energy: -208.552372 where: bonds (distance) C4'-P energy: -51.008 bonds (distance) P-C4' energy: -46.731 flat angles C4'-P-C4' energy: -55.112 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -18.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1145.506161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.506161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.506161 (E_RNA) where: Base-Base interactions energy: -810.823 where: short stacking energy: -342.147 Base-Backbone interact. energy: -1.326 local terms energy: -333.357048 where: bonds (distance) C4'-P energy: -65.420 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -72.381 flat angles P-C4'-P energy: -36.272 tors. eta vs tors. theta energy: -96.589 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: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1117.731098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.731098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.731098 (E_RNA) where: Base-Base interactions energy: -795.238 where: short stacking energy: -341.312 Base-Backbone interact. energy: -0.742 local terms energy: -321.751900 where: bonds (distance) C4'-P energy: -65.001 bonds (distance) P-C4' energy: -55.355 flat angles C4'-P-C4' energy: -67.676 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -88.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1066.658172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.658172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.658172 (E_RNA) where: Base-Base interactions energy: -737.581 where: short stacking energy: -342.956 Base-Backbone interact. energy: 1.628 local terms energy: -330.704498 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -46.681 tors. eta vs tors. theta energy: -97.243 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: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1010.923093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.923093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.923093 (E_RNA) where: Base-Base interactions energy: -688.752 where: short stacking energy: -316.109 Base-Backbone interact. energy: -0.929 local terms energy: -321.242540 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -73.170 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -86.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -954.831703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.831703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.831703 (E_RNA) where: Base-Base interactions energy: -641.388 where: short stacking energy: -286.876 Base-Backbone interact. energy: -1.825 local terms energy: -311.619004 where: bonds (distance) C4'-P energy: -58.021 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -75.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -888.570147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.570147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.570147 (E_RNA) where: Base-Base interactions energy: -610.709 where: short stacking energy: -265.622 Base-Backbone interact. energy: -2.598 local terms energy: -275.263297 where: bonds (distance) C4'-P energy: -48.705 bonds (distance) P-C4' energy: -65.621 flat angles C4'-P-C4' energy: -60.256 flat angles P-C4'-P energy: -37.212 tors. eta vs tors. theta energy: -63.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -799.570826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.570826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.570826 (E_RNA) where: Base-Base interactions energy: -537.199 where: short stacking energy: -247.369 Base-Backbone interact. energy: -0.709 local terms energy: -261.662974 where: bonds (distance) C4'-P energy: -50.500 bonds (distance) P-C4' energy: -61.883 flat angles C4'-P-C4' energy: -52.215 flat angles P-C4'-P energy: -32.387 tors. eta vs tors. theta energy: -64.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -758.434846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.434846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.434846 (E_RNA) where: Base-Base interactions energy: -499.148 where: short stacking energy: -223.574 Base-Backbone interact. energy: -0.924 local terms energy: -258.362405 where: bonds (distance) C4'-P energy: -70.829 bonds (distance) P-C4' energy: -58.375 flat angles C4'-P-C4' energy: -57.087 flat angles P-C4'-P energy: -21.440 tors. eta vs tors. theta energy: -50.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -775.494358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.494358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.494358 (E_RNA) where: Base-Base interactions energy: -522.368 where: short stacking energy: -215.622 Base-Backbone interact. energy: -1.288 local terms energy: -251.838668 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -51.270 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -30.019 tors. eta vs tors. theta energy: -52.018 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: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -506.885334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.885334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.885334 (E_RNA) where: Base-Base interactions energy: -318.508 where: short stacking energy: -145.476 Base-Backbone interact. energy: 3.994 local terms energy: -192.371262 where: bonds (distance) C4'-P energy: -46.288 bonds (distance) P-C4' energy: -59.836 flat angles C4'-P-C4' energy: -47.760 flat angles P-C4'-P energy: -26.990 tors. eta vs tors. theta energy: -11.498 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: 257 Temperature: 0.900000 Total energy: -1153.956116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.956116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.956116 (E_RNA) where: Base-Base interactions energy: -820.442 where: short stacking energy: -336.578 Base-Backbone interact. energy: -1.681 local terms energy: -331.833139 where: bonds (distance) C4'-P energy: -64.670 bonds (distance) P-C4' energy: -64.105 flat angles C4'-P-C4' energy: -69.076 flat angles P-C4'-P energy: -41.148 tors. eta vs tors. theta energy: -92.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1127.198942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.198942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.198942 (E_RNA) where: Base-Base interactions energy: -789.779 where: short stacking energy: -341.934 Base-Backbone interact. energy: -1.727 local terms energy: -335.693417 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -67.262 flat angles C4'-P-C4' energy: -65.210 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -90.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1056.910661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.910661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.910661 (E_RNA) where: Base-Base interactions energy: -725.676 where: short stacking energy: -329.598 Base-Backbone interact. energy: -0.907 local terms energy: -330.327750 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -62.433 flat angles C4'-P-C4' energy: -66.372 flat angles P-C4'-P energy: -43.600 tors. eta vs tors. theta energy: -96.736 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: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1013.581044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.581044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.581044 (E_RNA) where: Base-Base interactions energy: -697.843 where: short stacking energy: -331.333 Base-Backbone interact. energy: -0.061 local terms energy: -315.677436 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -64.864 flat angles C4'-P-C4' energy: -62.016 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -90.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -958.495507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.495507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.495507 (E_RNA) where: Base-Base interactions energy: -657.490 where: short stacking energy: -301.224 Base-Backbone interact. energy: 0.085 local terms energy: -301.090444 where: bonds (distance) C4'-P energy: -65.235 bonds (distance) P-C4' energy: -54.501 flat angles C4'-P-C4' energy: -71.255 flat angles P-C4'-P energy: -35.331 tors. eta vs tors. theta energy: -74.768 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: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -919.519262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.519262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.519262 (E_RNA) where: Base-Base interactions energy: -617.390 where: short stacking energy: -272.149 Base-Backbone interact. energy: -0.176 local terms energy: -301.953178 where: bonds (distance) C4'-P energy: -55.464 bonds (distance) P-C4' energy: -63.158 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -77.777 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: 257 Temperature: 1.200000 Total energy: -780.949980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.949980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.949980 (E_RNA) where: Base-Base interactions energy: -528.413 where: short stacking energy: -244.789 Base-Backbone interact. energy: -3.152 local terms energy: -249.385193 where: bonds (distance) C4'-P energy: -48.843 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -54.131 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -44.774 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: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -858.136789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.136789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.136789 (E_RNA) where: Base-Base interactions energy: -595.057 where: short stacking energy: -241.002 Base-Backbone interact. energy: 3.047 local terms energy: -266.126788 where: bonds (distance) C4'-P energy: -50.626 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -56.831 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -60.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -803.126290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.126290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.126290 (E_RNA) where: Base-Base interactions energy: -549.291 where: short stacking energy: -239.030 Base-Backbone interact. energy: 1.244 local terms energy: -255.079738 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -51.917 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -31.464 tors. eta vs tors. theta energy: -56.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -482.215005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.215005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.215005 (E_RNA) where: Base-Base interactions energy: -284.877 where: short stacking energy: -124.258 Base-Backbone interact. energy: 0.059 local terms energy: -197.397065 where: bonds (distance) C4'-P energy: -43.850 bonds (distance) P-C4' energy: -49.036 flat angles C4'-P-C4' energy: -51.806 flat angles P-C4'-P energy: -36.349 tors. eta vs tors. theta energy: -16.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1126.013203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.013203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.013203 (E_RNA) where: Base-Base interactions energy: -805.591 where: short stacking energy: -333.705 Base-Backbone interact. energy: 0.122 local terms energy: -320.544113 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -59.677 flat angles C4'-P-C4' energy: -73.979 flat angles P-C4'-P energy: -34.842 tors. eta vs tors. theta energy: -89.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1109.597381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.597381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.597381 (E_RNA) where: Base-Base interactions energy: -756.859 where: short stacking energy: -316.434 Base-Backbone interact. energy: -1.289 local terms energy: -351.449982 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -52.128 tors. eta vs tors. theta energy: -92.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1039.626187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.626187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.626187 (E_RNA) where: Base-Base interactions energy: -717.462 where: short stacking energy: -309.080 Base-Backbone interact. energy: -0.931 local terms energy: -321.232781 where: bonds (distance) C4'-P energy: -54.275 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -70.497 flat angles P-C4'-P energy: -43.913 tors. eta vs tors. theta energy: -83.716 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: 258 Temperature: 1.050000 Total energy: -994.000558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.000558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.000558 (E_RNA) where: Base-Base interactions energy: -668.479 where: short stacking energy: -313.083 Base-Backbone interact. energy: -1.033 local terms energy: -324.488645 where: bonds (distance) C4'-P energy: -56.836 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -65.642 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -87.691 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: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -946.333739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.333739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.333739 (E_RNA) where: Base-Base interactions energy: -671.695 where: short stacking energy: -276.095 Base-Backbone interact. energy: -3.993 local terms energy: -270.645307 where: bonds (distance) C4'-P energy: -50.594 bonds (distance) P-C4' energy: -57.089 flat angles C4'-P-C4' energy: -58.781 flat angles P-C4'-P energy: -35.598 tors. eta vs tors. theta energy: -68.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -916.945332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.945332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.945332 (E_RNA) where: Base-Base interactions energy: -624.691 where: short stacking energy: -290.855 Base-Backbone interact. energy: 0.126 local terms energy: -292.380342 where: bonds (distance) C4'-P energy: -52.082 bonds (distance) P-C4' energy: -54.546 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: -74.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -821.643808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.643808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.643808 (E_RNA) where: Base-Base interactions energy: -546.027 where: short stacking energy: -261.457 Base-Backbone interact. energy: 0.030 local terms energy: -275.646512 where: bonds (distance) C4'-P energy: -52.940 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -64.727 flat angles P-C4'-P energy: -29.607 tors. eta vs tors. theta energy: -70.924 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: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -830.745337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.745337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.745337 (E_RNA) where: Base-Base interactions energy: -572.466 where: short stacking energy: -263.082 Base-Backbone interact. energy: -0.989 local terms energy: -257.289823 where: bonds (distance) C4'-P energy: -49.729 bonds (distance) P-C4' energy: -45.474 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -35.037 tors. eta vs tors. theta energy: -66.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -783.095389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.095389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.095389 (E_RNA) where: Base-Base interactions energy: -532.253 where: short stacking energy: -228.733 Base-Backbone interact. energy: 1.995 local terms energy: -252.836599 where: bonds (distance) C4'-P energy: -50.909 bonds (distance) P-C4' energy: -55.547 flat angles C4'-P-C4' energy: -55.223 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: -50.457 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: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -504.602922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.602922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.602922 (E_RNA) where: Base-Base interactions energy: -296.523 where: short stacking energy: -153.879 Base-Backbone interact. energy: 1.703 local terms energy: -209.783501 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -55.990 flat angles C4'-P-C4' energy: -57.168 flat angles P-C4'-P energy: -25.140 tors. eta vs tors. theta energy: -16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1156.509269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.509269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.509269 (E_RNA) where: Base-Base interactions energy: -822.772 where: short stacking energy: -344.172 Base-Backbone interact. energy: 1.396 local terms energy: -335.133454 where: bonds (distance) C4'-P energy: -61.671 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -67.356 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -94.552 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: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1132.261898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.261898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.261898 (E_RNA) where: Base-Base interactions energy: -787.513 where: short stacking energy: -347.739 Base-Backbone interact. energy: -2.788 local terms energy: -341.961514 where: bonds (distance) C4'-P energy: -60.100 bonds (distance) P-C4' energy: -69.849 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -95.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1053.237925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.237925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.237925 (E_RNA) where: Base-Base interactions energy: -730.003 where: short stacking energy: -331.840 Base-Backbone interact. energy: -1.922 local terms energy: -321.312922 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -53.320 flat angles C4'-P-C4' energy: -69.451 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -87.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1002.368108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.368108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.368108 (E_RNA) where: Base-Base interactions energy: -672.872 where: short stacking energy: -300.632 Base-Backbone interact. energy: -0.528 local terms energy: -328.967731 where: bonds (distance) C4'-P energy: -68.844 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -66.467 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -85.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -949.734820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.734820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.734820 (E_RNA) where: Base-Base interactions energy: -648.727 where: short stacking energy: -297.887 Base-Backbone interact. energy: 1.344 local terms energy: -302.352092 where: bonds (distance) C4'-P energy: -53.600 bonds (distance) P-C4' energy: -60.281 flat angles C4'-P-C4' energy: -63.727 flat angles P-C4'-P energy: -41.946 tors. eta vs tors. theta energy: -82.799 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: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -903.931171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.931171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.931171 (E_RNA) where: Base-Base interactions energy: -629.208 where: short stacking energy: -287.371 Base-Backbone interact. energy: -1.410 local terms energy: -273.312464 where: bonds (distance) C4'-P energy: -48.771 bonds (distance) P-C4' energy: -52.533 flat angles C4'-P-C4' energy: -57.377 flat angles P-C4'-P energy: -33.752 tors. eta vs tors. theta energy: -80.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -852.259033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.259033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.259033 (E_RNA) where: Base-Base interactions energy: -577.400 where: short stacking energy: -255.750 Base-Backbone interact. energy: 1.999 local terms energy: -276.857942 where: bonds (distance) C4'-P energy: -50.857 bonds (distance) P-C4' energy: -53.748 flat angles C4'-P-C4' energy: -63.691 flat angles P-C4'-P energy: -35.978 tors. eta vs tors. theta energy: -72.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -793.636403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.636403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.636403 (E_RNA) where: Base-Base interactions energy: -542.168 where: short stacking energy: -234.160 Base-Backbone interact. energy: -1.487 local terms energy: -249.980904 where: bonds (distance) C4'-P energy: -54.375 bonds (distance) P-C4' energy: -60.534 flat angles C4'-P-C4' energy: -52.663 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: -49.656 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: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -741.171647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.171647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.171647 (E_RNA) where: Base-Base interactions energy: -476.154 where: short stacking energy: -211.920 Base-Backbone interact. energy: 0.285 local terms energy: -265.302772 where: bonds (distance) C4'-P energy: -59.568 bonds (distance) P-C4' energy: -62.286 flat angles C4'-P-C4' energy: -61.900 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -48.102 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: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -546.088561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.088561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.088561 (E_RNA) where: Base-Base interactions energy: -345.026 where: short stacking energy: -158.701 Base-Backbone interact. energy: -0.669 local terms energy: -200.393431 where: bonds (distance) C4'-P energy: -46.623 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -50.715 flat angles P-C4'-P energy: -26.383 tors. eta vs tors. theta energy: -19.051 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: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1150.065721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.065721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.065721 (E_RNA) where: Base-Base interactions energy: -791.506 where: short stacking energy: -337.241 Base-Backbone interact. energy: -0.879 local terms energy: -357.680871 where: bonds (distance) C4'-P energy: -61.452 bonds (distance) P-C4' energy: -75.373 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -51.056 tors. eta vs tors. theta energy: -95.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1126.984149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.984149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.984149 (E_RNA) where: Base-Base interactions energy: -794.833 where: short stacking energy: -321.227 Base-Backbone interact. energy: -0.214 local terms energy: -331.937487 where: bonds (distance) C4'-P energy: -71.682 bonds (distance) P-C4' energy: -63.695 flat angles C4'-P-C4' energy: -67.918 flat angles P-C4'-P energy: -43.788 tors. eta vs tors. theta energy: -84.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1034.114308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.114308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.114308 (E_RNA) where: Base-Base interactions energy: -712.812 where: short stacking energy: -329.889 Base-Backbone interact. energy: -0.944 local terms energy: -320.357743 where: bonds (distance) C4'-P energy: -50.112 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -68.747 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -92.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -983.316478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.316478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.316478 (E_RNA) where: Base-Base interactions energy: -663.433 where: short stacking energy: -310.721 Base-Backbone interact. energy: -1.025 local terms energy: -318.858683 where: bonds (distance) C4'-P energy: -55.946 bonds (distance) P-C4' energy: -65.576 flat angles C4'-P-C4' energy: -72.579 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -88.672 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: 260 Temperature: 1.100000 Total energy: -1016.729113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.729113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.729113 (E_RNA) where: Base-Base interactions energy: -697.035 where: short stacking energy: -319.482 Base-Backbone interact. energy: -1.231 local terms energy: -318.464009 where: bonds (distance) C4'-P energy: -56.289 bonds (distance) P-C4' energy: -55.041 flat angles C4'-P-C4' energy: -75.030 flat angles P-C4'-P energy: -45.755 tors. eta vs tors. theta energy: -86.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -957.562796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.562796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.562796 (E_RNA) where: Base-Base interactions energy: -650.633 where: short stacking energy: -306.191 Base-Backbone interact. energy: -0.302 local terms energy: -306.627391 where: bonds (distance) C4'-P energy: -55.447 bonds (distance) P-C4' energy: -57.288 flat angles C4'-P-C4' energy: -61.590 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -82.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -806.219026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.219026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.219026 (E_RNA) where: Base-Base interactions energy: -549.179 where: short stacking energy: -253.990 Base-Backbone interact. energy: -0.196 local terms energy: -256.843526 where: bonds (distance) C4'-P energy: -53.899 bonds (distance) P-C4' energy: -53.476 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -29.986 tors. eta vs tors. theta energy: -55.783 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -772.358723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.358723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.358723 (E_RNA) where: Base-Base interactions energy: -519.820 where: short stacking energy: -225.359 Base-Backbone interact. energy: 1.230 local terms energy: -253.767966 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -65.204 flat angles C4'-P-C4' energy: -47.423 flat angles P-C4'-P energy: -33.627 tors. eta vs tors. theta energy: -52.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -747.197251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.197251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.197251 (E_RNA) where: Base-Base interactions energy: -513.745 where: short stacking energy: -235.421 Base-Backbone interact. energy: -0.410 local terms energy: -233.042806 where: bonds (distance) C4'-P energy: -49.566 bonds (distance) P-C4' energy: -49.890 flat angles C4'-P-C4' energy: -54.070 flat angles P-C4'-P energy: -33.102 tors. eta vs tors. theta energy: -46.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -525.997811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.997811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.997811 (E_RNA) where: Base-Base interactions energy: -306.669 where: short stacking energy: -151.787 Base-Backbone interact. energy: -0.789 local terms energy: -218.540361 where: bonds (distance) C4'-P energy: -56.391 bonds (distance) P-C4' energy: -45.143 flat angles C4'-P-C4' energy: -61.857 flat angles P-C4'-P energy: -33.216 tors. eta vs tors. theta energy: -21.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1162.681882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.681882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.681882 (E_RNA) where: Base-Base interactions energy: -818.463 where: short stacking energy: -360.839 Base-Backbone interact. energy: -0.754 local terms energy: -343.464554 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -60.842 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -43.741 tors. eta vs tors. theta energy: -100.044 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: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1102.657031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.657031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.657031 (E_RNA) where: Base-Base interactions energy: -782.144 where: short stacking energy: -315.161 Base-Backbone interact. energy: -0.514 local terms energy: -319.999614 where: bonds (distance) C4'-P energy: -58.905 bonds (distance) P-C4' energy: -67.604 flat angles C4'-P-C4' energy: -68.113 flat angles P-C4'-P energy: -39.390 tors. eta vs tors. theta energy: -85.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1059.495989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.495989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.495989 (E_RNA) where: Base-Base interactions energy: -735.266 where: short stacking energy: -317.574 Base-Backbone interact. energy: -0.823 local terms energy: -323.407147 where: bonds (distance) C4'-P energy: -45.133 bonds (distance) P-C4' energy: -57.819 flat angles C4'-P-C4' energy: -70.709 flat angles P-C4'-P energy: -54.980 tors. eta vs tors. theta energy: -94.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -973.251585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.251585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.251585 (E_RNA) where: Base-Base interactions energy: -659.897 where: short stacking energy: -291.393 Base-Backbone interact. energy: 0.112 local terms energy: -313.465835 where: bonds (distance) C4'-P energy: -53.584 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -62.861 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -83.398 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: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -984.079002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.079002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.079002 (E_RNA) where: Base-Base interactions energy: -682.510 where: short stacking energy: -321.411 Base-Backbone interact. energy: 1.934 local terms energy: -303.502891 where: bonds (distance) C4'-P energy: -62.562 bonds (distance) P-C4' energy: -60.285 flat angles C4'-P-C4' energy: -61.841 flat angles P-C4'-P energy: -31.426 tors. eta vs tors. theta energy: -87.389 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: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -900.744015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.744015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.744015 (E_RNA) where: Base-Base interactions energy: -610.590 where: short stacking energy: -261.807 Base-Backbone interact. energy: -0.730 local terms energy: -289.423812 where: bonds (distance) C4'-P energy: -64.042 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -52.316 flat angles P-C4'-P energy: -37.772 tors. eta vs tors. theta energy: -69.370 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: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -808.853909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.853909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.853909 (E_RNA) where: Base-Base interactions energy: -538.287 where: short stacking energy: -261.133 Base-Backbone interact. energy: -0.678 local terms energy: -269.889077 where: bonds (distance) C4'-P energy: -59.209 bonds (distance) P-C4' energy: -47.628 flat angles C4'-P-C4' energy: -54.416 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -64.603 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: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -779.959446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.959446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.959446 (E_RNA) where: Base-Base interactions energy: -541.444 where: short stacking energy: -231.669 Base-Backbone interact. energy: 1.470 local terms energy: -239.985326 where: bonds (distance) C4'-P energy: -53.804 bonds (distance) P-C4' energy: -55.296 flat angles C4'-P-C4' energy: -62.211 flat angles P-C4'-P energy: -21.576 tors. eta vs tors. theta energy: -47.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -707.269787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.269787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.269787 (E_RNA) where: Base-Base interactions energy: -458.654 where: short stacking energy: -214.816 Base-Backbone interact. energy: -0.598 local terms energy: -248.017745 where: bonds (distance) C4'-P energy: -41.937 bonds (distance) P-C4' energy: -57.155 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -44.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -550.547963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.547963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.547963 (E_RNA) where: Base-Base interactions energy: -328.679 where: short stacking energy: -154.726 Base-Backbone interact. energy: -0.159 local terms energy: -221.710776 where: bonds (distance) C4'-P energy: -46.593 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -60.925 flat angles P-C4'-P energy: -30.992 tors. eta vs tors. theta energy: -29.257 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: 262 Temperature: 0.900000 Total energy: -1137.706884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.706884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.706884 (E_RNA) where: Base-Base interactions energy: -794.522 where: short stacking energy: -344.193 Base-Backbone interact. energy: -0.509 local terms energy: -342.675846 where: bonds (distance) C4'-P energy: -60.540 bonds (distance) P-C4' energy: -65.458 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -99.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1121.760560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.760560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.760560 (E_RNA) where: Base-Base interactions energy: -803.464 where: short stacking energy: -336.175 Base-Backbone interact. energy: -4.571 local terms energy: -313.725732 where: bonds (distance) C4'-P energy: -48.369 bonds (distance) P-C4' energy: -67.226 flat angles C4'-P-C4' energy: -69.339 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -84.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1032.776032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.776032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.776032 (E_RNA) where: Base-Base interactions energy: -711.210 where: short stacking energy: -309.851 Base-Backbone interact. energy: -1.059 local terms energy: -320.507771 where: bonds (distance) C4'-P energy: -60.534 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: -78.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -989.936993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.936993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.936993 (E_RNA) where: Base-Base interactions energy: -661.163 where: short stacking energy: -302.852 Base-Backbone interact. energy: -0.146 local terms energy: -328.628321 where: bonds (distance) C4'-P energy: -61.976 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -83.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -979.355249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.355249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.355249 (E_RNA) where: Base-Base interactions energy: -653.713 where: short stacking energy: -313.945 Base-Backbone interact. energy: -0.746 local terms energy: -324.896196 where: bonds (distance) C4'-P energy: -62.957 bonds (distance) P-C4' energy: -67.154 flat angles C4'-P-C4' energy: -67.300 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -79.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -920.217134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.217134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.217134 (E_RNA) where: Base-Base interactions energy: -622.782 where: short stacking energy: -275.675 Base-Backbone interact. energy: -1.802 local terms energy: -295.633194 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -63.319 flat angles P-C4'-P energy: -35.114 tors. eta vs tors. theta energy: -76.751 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: 262 Temperature: 1.200000 Total energy: -812.272965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.272965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.272965 (E_RNA) where: Base-Base interactions energy: -534.067 where: short stacking energy: -245.688 Base-Backbone interact. energy: 0.076 local terms energy: -278.281223 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -62.886 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -55.727 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: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -794.693019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.693019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.693019 (E_RNA) where: Base-Base interactions energy: -546.021 where: short stacking energy: -216.855 Base-Backbone interact. energy: -1.722 local terms energy: -246.949998 where: bonds (distance) C4'-P energy: -48.391 bonds (distance) P-C4' energy: -46.239 flat angles C4'-P-C4' energy: -57.746 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -55.268 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: 262 Temperature: 1.300000 Total energy: -687.674535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.674535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.674535 (E_RNA) where: Base-Base interactions energy: -457.225 where: short stacking energy: -202.471 Base-Backbone interact. energy: -0.588 local terms energy: -229.861584 where: bonds (distance) C4'-P energy: -44.328 bonds (distance) P-C4' energy: -59.014 flat angles C4'-P-C4' energy: -60.606 flat angles P-C4'-P energy: -31.781 tors. eta vs tors. theta energy: -34.132 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: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -493.383813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.383813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.383813 (E_RNA) where: Base-Base interactions energy: -290.564 where: short stacking energy: -131.283 Base-Backbone interact. energy: -1.461 local terms energy: -201.358922 where: bonds (distance) C4'-P energy: -54.275 bonds (distance) P-C4' energy: -51.485 flat angles C4'-P-C4' energy: -52.091 flat angles P-C4'-P energy: -28.561 tors. eta vs tors. theta energy: -14.947 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: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1144.406101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.406101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.406101 (E_RNA) where: Base-Base interactions energy: -789.338 where: short stacking energy: -343.131 Base-Backbone interact. energy: 0.747 local terms energy: -355.815924 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -64.322 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -59.970 tors. eta vs tors. theta energy: -98.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1130.357805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.357805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.357805 (E_RNA) where: Base-Base interactions energy: -794.975 where: short stacking energy: -340.956 Base-Backbone interact. energy: -2.272 local terms energy: -333.110793 where: bonds (distance) C4'-P energy: -65.541 bonds (distance) P-C4' energy: -58.860 flat angles C4'-P-C4' energy: -77.086 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -93.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1059.622116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.622116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.622116 (E_RNA) where: Base-Base interactions energy: -746.062 where: short stacking energy: -327.012 Base-Backbone interact. energy: -2.164 local terms energy: -311.395975 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -50.102 flat angles C4'-P-C4' energy: -78.246 flat angles P-C4'-P energy: -36.250 tors. eta vs tors. theta energy: -89.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -978.898106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.898106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.898106 (E_RNA) where: Base-Base interactions energy: -665.501 where: short stacking energy: -316.958 Base-Backbone interact. energy: -0.941 local terms energy: -312.456002 where: bonds (distance) C4'-P energy: -52.663 bonds (distance) P-C4' energy: -64.341 flat angles C4'-P-C4' energy: -65.625 flat angles P-C4'-P energy: -42.687 tors. eta vs tors. theta energy: -87.140 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: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -972.123078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.123078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.123078 (E_RNA) where: Base-Base interactions energy: -674.122 where: short stacking energy: -315.402 Base-Backbone interact. energy: 0.984 local terms energy: -298.984525 where: bonds (distance) C4'-P energy: -47.998 bonds (distance) P-C4' energy: -54.222 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -41.023 tors. eta vs tors. theta energy: -85.144 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: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -925.041223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.041223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.041223 (E_RNA) where: Base-Base interactions energy: -630.826 where: short stacking energy: -272.464 Base-Backbone interact. energy: -0.549 local terms energy: -293.666788 where: bonds (distance) C4'-P energy: -69.689 bonds (distance) P-C4' energy: -51.284 flat angles C4'-P-C4' energy: -64.086 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -69.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -802.930198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.930198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.930198 (E_RNA) where: Base-Base interactions energy: -531.334 where: short stacking energy: -235.380 Base-Backbone interact. energy: 0.616 local terms energy: -272.211490 where: bonds (distance) C4'-P energy: -59.479 bonds (distance) P-C4' energy: -59.472 flat angles C4'-P-C4' energy: -62.697 flat angles P-C4'-P energy: -33.744 tors. eta vs tors. theta energy: -56.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -722.251421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.251421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.251421 (E_RNA) where: Base-Base interactions energy: -486.875 where: short stacking energy: -200.204 Base-Backbone interact. energy: 1.396 local terms energy: -236.772400 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -52.518 flat angles C4'-P-C4' energy: -46.761 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -43.697 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: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -729.465823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.465823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.465823 (E_RNA) where: Base-Base interactions energy: -478.790 where: short stacking energy: -206.596 Base-Backbone interact. energy: -0.502 local terms energy: -250.173610 where: bonds (distance) C4'-P energy: -48.622 bonds (distance) P-C4' energy: -47.371 flat angles C4'-P-C4' energy: -61.324 flat angles P-C4'-P energy: -48.838 tors. eta vs tors. theta energy: -44.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -468.300894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.300894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.300894 (E_RNA) where: Base-Base interactions energy: -270.423 where: short stacking energy: -125.122 Base-Backbone interact. energy: 0.340 local terms energy: -198.217522 where: bonds (distance) C4'-P energy: -64.027 bonds (distance) P-C4' energy: -51.940 flat angles C4'-P-C4' energy: -41.356 flat angles P-C4'-P energy: -37.850 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1153.611505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.611505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.611505 (E_RNA) where: Base-Base interactions energy: -804.204 where: short stacking energy: -357.669 Base-Backbone interact. energy: -1.730 local terms energy: -347.676983 where: bonds (distance) C4'-P energy: -60.336 bonds (distance) P-C4' energy: -65.213 flat angles C4'-P-C4' energy: -77.090 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -99.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1103.079671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.079671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.079671 (E_RNA) where: Base-Base interactions energy: -776.300 where: short stacking energy: -333.564 Base-Backbone interact. energy: -2.008 local terms energy: -324.771801 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -67.446 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: -92.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1060.234497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.234497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.234497 (E_RNA) where: Base-Base interactions energy: -719.778 where: short stacking energy: -321.436 Base-Backbone interact. energy: -1.133 local terms energy: -339.323907 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -68.142 flat angles C4'-P-C4' energy: -75.530 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -84.702 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: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1008.675774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.675774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.675774 (E_RNA) where: Base-Base interactions energy: -671.020 where: short stacking energy: -313.797 Base-Backbone interact. energy: -0.516 local terms energy: -337.139098 where: bonds (distance) C4'-P energy: -60.791 bonds (distance) P-C4' energy: -63.532 flat angles C4'-P-C4' energy: -70.307 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -91.661 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: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -946.082898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.082898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.082898 (E_RNA) where: Base-Base interactions energy: -648.803 where: short stacking energy: -290.572 Base-Backbone interact. energy: -1.525 local terms energy: -295.754614 where: bonds (distance) C4'-P energy: -48.486 bonds (distance) P-C4' energy: -56.906 flat angles C4'-P-C4' energy: -73.028 flat angles P-C4'-P energy: -34.727 tors. eta vs tors. theta energy: -82.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -906.633627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.633627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.633627 (E_RNA) where: Base-Base interactions energy: -625.311 where: short stacking energy: -285.750 Base-Backbone interact. energy: -0.857 local terms energy: -280.466158 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -59.104 flat angles C4'-P-C4' energy: -53.714 flat angles P-C4'-P energy: -40.115 tors. eta vs tors. theta energy: -72.716 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: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -821.899935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.899935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.899935 (E_RNA) where: Base-Base interactions energy: -557.904 where: short stacking energy: -275.395 Base-Backbone interact. energy: 0.837 local terms energy: -264.832664 where: bonds (distance) C4'-P energy: -45.557 bonds (distance) P-C4' energy: -53.352 flat angles C4'-P-C4' energy: -60.057 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -68.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -750.031065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.031065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.031065 (E_RNA) where: Base-Base interactions energy: -478.663 where: short stacking energy: -234.637 Base-Backbone interact. energy: 0.310 local terms energy: -271.678350 where: bonds (distance) C4'-P energy: -59.932 bonds (distance) P-C4' energy: -56.357 flat angles C4'-P-C4' energy: -54.921 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -58.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -728.377753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.377753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.377753 (E_RNA) where: Base-Base interactions energy: -490.171 where: short stacking energy: -205.769 Base-Backbone interact. energy: -1.400 local terms energy: -236.806510 where: bonds (distance) C4'-P energy: -57.467 bonds (distance) P-C4' energy: -35.483 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -53.720 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: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -432.154393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.154393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.154393 (E_RNA) where: Base-Base interactions energy: -253.906 where: short stacking energy: -107.478 Base-Backbone interact. energy: -0.147 local terms energy: -178.100740 where: bonds (distance) C4'-P energy: -49.539 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -41.203 flat angles P-C4'-P energy: -27.075 tors. eta vs tors. theta energy: 0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1147.560191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.560191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.560191 (E_RNA) where: Base-Base interactions energy: -805.836 where: short stacking energy: -350.564 Base-Backbone interact. energy: 3.242 local terms energy: -344.966059 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -61.938 flat angles C4'-P-C4' energy: -78.964 flat angles P-C4'-P energy: -50.240 tors. eta vs tors. theta energy: -93.624 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: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1116.471598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.471598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.471598 (E_RNA) where: Base-Base interactions energy: -774.262 where: short stacking energy: -324.958 Base-Backbone interact. energy: -1.672 local terms energy: -340.537707 where: bonds (distance) C4'-P energy: -69.373 bonds (distance) P-C4' energy: -68.667 flat angles C4'-P-C4' energy: -69.249 flat angles P-C4'-P energy: -43.311 tors. eta vs tors. theta energy: -89.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1086.037001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.037001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.037001 (E_RNA) where: Base-Base interactions energy: -747.827 where: short stacking energy: -327.571 Base-Backbone interact. energy: -1.215 local terms energy: -336.995046 where: bonds (distance) C4'-P energy: -51.224 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -72.639 flat angles P-C4'-P energy: -50.444 tors. eta vs tors. theta energy: -96.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -994.783515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.783515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.783515 (E_RNA) where: Base-Base interactions energy: -689.729 where: short stacking energy: -316.762 Base-Backbone interact. energy: -0.747 local terms energy: -304.307017 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -58.613 flat angles C4'-P-C4' energy: -66.263 flat angles P-C4'-P energy: -38.898 tors. eta vs tors. theta energy: -83.571 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: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -931.505089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.505089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.505089 (E_RNA) where: Base-Base interactions energy: -623.336 where: short stacking energy: -292.083 Base-Backbone interact. energy: -0.728 local terms energy: -307.441097 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -47.925 flat angles C4'-P-C4' energy: -71.186 flat angles P-C4'-P energy: -51.552 tors. eta vs tors. theta energy: -79.374 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -910.064177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.064177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.064177 (E_RNA) where: Base-Base interactions energy: -626.807 where: short stacking energy: -285.807 Base-Backbone interact. energy: -1.181 local terms energy: -282.076429 where: bonds (distance) C4'-P energy: -44.268 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -57.108 flat angles P-C4'-P energy: -39.830 tors. eta vs tors. theta energy: -76.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -848.270161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.270161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.270161 (E_RNA) where: Base-Base interactions energy: -578.264 where: short stacking energy: -277.750 Base-Backbone interact. energy: -0.684 local terms energy: -269.322259 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -45.119 flat angles C4'-P-C4' energy: -59.081 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -63.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -760.781013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.781013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.781013 (E_RNA) where: Base-Base interactions energy: -498.177 where: short stacking energy: -239.458 Base-Backbone interact. energy: -0.590 local terms energy: -262.013650 where: bonds (distance) C4'-P energy: -40.799 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -64.155 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: -62.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -721.545943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.545943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.545943 (E_RNA) where: Base-Base interactions energy: -493.279 where: short stacking energy: -190.237 Base-Backbone interact. energy: -1.537 local terms energy: -226.729917 where: bonds (distance) C4'-P energy: -67.669 bonds (distance) P-C4' energy: -56.499 flat angles C4'-P-C4' energy: -43.231 flat angles P-C4'-P energy: -29.669 tors. eta vs tors. theta energy: -29.662 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: 10, replica: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -487.853267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.853267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.853267 (E_RNA) where: Base-Base interactions energy: -297.050 where: short stacking energy: -126.580 Base-Backbone interact. energy: 0.119 local terms energy: -190.921514 where: bonds (distance) C4'-P energy: -49.879 bonds (distance) P-C4' energy: -50.872 flat angles C4'-P-C4' energy: -52.009 flat angles P-C4'-P energy: -29.768 tors. eta vs tors. theta energy: -8.394 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: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1145.989873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.989873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.989873 (E_RNA) where: Base-Base interactions energy: -797.209 where: short stacking energy: -342.561 Base-Backbone interact. energy: -2.426 local terms energy: -346.355671 where: bonds (distance) C4'-P energy: -55.890 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -73.806 flat angles P-C4'-P energy: -57.749 tors. eta vs tors. theta energy: -90.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1125.772389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.772389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.772389 (E_RNA) where: Base-Base interactions energy: -785.678 where: short stacking energy: -340.078 Base-Backbone interact. energy: -0.609 local terms energy: -339.484754 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -71.671 flat angles C4'-P-C4' energy: -69.277 flat angles P-C4'-P energy: -44.470 tors. eta vs tors. theta energy: -93.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1075.740545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.740545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.740545 (E_RNA) where: Base-Base interactions energy: -746.706 where: short stacking energy: -332.758 Base-Backbone interact. energy: -0.045 local terms energy: -328.989381 where: bonds (distance) C4'-P energy: -64.176 bonds (distance) P-C4' energy: -50.837 flat angles C4'-P-C4' energy: -75.092 flat angles P-C4'-P energy: -41.182 tors. eta vs tors. theta energy: -97.703 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: 266 Temperature: 1.050000 Total energy: -983.510939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.510939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.510939 (E_RNA) where: Base-Base interactions energy: -677.990 where: short stacking energy: -299.807 Base-Backbone interact. energy: 1.435 local terms energy: -306.956071 where: bonds (distance) C4'-P energy: -63.113 bonds (distance) P-C4' energy: -55.290 flat angles C4'-P-C4' energy: -67.774 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -77.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -957.018425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.018425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.018425 (E_RNA) where: Base-Base interactions energy: -651.188 where: short stacking energy: -304.180 Base-Backbone interact. energy: 1.046 local terms energy: -306.876386 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -69.149 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -80.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -931.931756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.931756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.931756 (E_RNA) where: Base-Base interactions energy: -640.623 where: short stacking energy: -284.539 Base-Backbone interact. energy: -1.595 local terms energy: -289.714059 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -57.566 flat angles C4'-P-C4' energy: -58.446 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: -78.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -861.600205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.600205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.600205 (E_RNA) where: Base-Base interactions energy: -581.278 where: short stacking energy: -273.760 Base-Backbone interact. energy: -0.961 local terms energy: -279.361314 where: bonds (distance) C4'-P energy: -52.437 bonds (distance) P-C4' energy: -47.463 flat angles C4'-P-C4' energy: -61.989 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: -73.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -695.030398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.030398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.030398 (E_RNA) where: Base-Base interactions energy: -452.557 where: short stacking energy: -226.084 Base-Backbone interact. energy: -2.030 local terms energy: -240.443577 where: bonds (distance) C4'-P energy: -55.725 bonds (distance) P-C4' energy: -47.434 flat angles C4'-P-C4' energy: -63.083 flat angles P-C4'-P energy: -34.941 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: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -747.791790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.791790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.791790 (E_RNA) where: Base-Base interactions energy: -504.403 where: short stacking energy: -221.816 Base-Backbone interact. energy: 0.315 local terms energy: -243.703971 where: bonds (distance) C4'-P energy: -63.324 bonds (distance) P-C4' energy: -49.354 flat angles C4'-P-C4' energy: -56.204 flat angles P-C4'-P energy: -31.000 tors. eta vs tors. theta energy: -43.822 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: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -467.119403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.119403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.119403 (E_RNA) where: Base-Base interactions energy: -259.064 where: short stacking energy: -143.530 Base-Backbone interact. energy: -0.628 local terms energy: -207.427983 where: bonds (distance) C4'-P energy: -57.257 bonds (distance) P-C4' energy: -46.141 flat angles C4'-P-C4' energy: -49.186 flat angles P-C4'-P energy: -31.461 tors. eta vs tors. theta energy: -23.384 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: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1147.047902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.047902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.047902 (E_RNA) where: Base-Base interactions energy: -815.960 where: short stacking energy: -357.350 Base-Backbone interact. energy: -1.219 local terms energy: -329.869074 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -54.409 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -91.585 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: 267 Temperature: 0.950000 Total energy: -1118.105368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.105368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.105368 (E_RNA) where: Base-Base interactions energy: -775.316 where: short stacking energy: -341.400 Base-Backbone interact. energy: 0.740 local terms energy: -343.529154 where: bonds (distance) C4'-P energy: -60.554 bonds (distance) P-C4' energy: -60.665 flat angles C4'-P-C4' energy: -71.083 flat angles P-C4'-P energy: -53.602 tors. eta vs tors. theta energy: -97.625 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: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1046.199288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.199288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.199288 (E_RNA) where: Base-Base interactions energy: -714.398 where: short stacking energy: -322.017 Base-Backbone interact. energy: -1.472 local terms energy: -330.329330 where: bonds (distance) C4'-P energy: -60.695 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -68.605 flat angles P-C4'-P energy: -44.253 tors. eta vs tors. theta energy: -90.011 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: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -993.467674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.467674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.467674 (E_RNA) where: Base-Base interactions energy: -673.054 where: short stacking energy: -316.493 Base-Backbone interact. energy: -0.853 local terms energy: -319.560673 where: bonds (distance) C4'-P energy: -57.073 bonds (distance) P-C4' energy: -49.680 flat angles C4'-P-C4' energy: -72.158 flat angles P-C4'-P energy: -49.305 tors. eta vs tors. theta energy: -91.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -956.443569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.443569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.443569 (E_RNA) where: Base-Base interactions energy: -675.532 where: short stacking energy: -311.063 Base-Backbone interact. energy: -0.301 local terms energy: -280.610771 where: bonds (distance) C4'-P energy: -41.608 bonds (distance) P-C4' energy: -53.412 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -34.513 tors. eta vs tors. theta energy: -83.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -929.737533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.737533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.737533 (E_RNA) where: Base-Base interactions energy: -646.679 where: short stacking energy: -292.297 Base-Backbone interact. energy: -1.613 local terms energy: -281.445665 where: bonds (distance) C4'-P energy: -36.098 bonds (distance) P-C4' energy: -61.094 flat angles C4'-P-C4' energy: -61.827 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -80.200 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: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -824.561695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.561695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.561695 (E_RNA) where: Base-Base interactions energy: -555.180 where: short stacking energy: -262.702 Base-Backbone interact. energy: 0.545 local terms energy: -269.926239 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -67.609 flat angles P-C4'-P energy: -32.609 tors. eta vs tors. theta energy: -64.323 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: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -748.825773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.825773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.825773 (E_RNA) where: Base-Base interactions energy: -510.036 where: short stacking energy: -233.203 Base-Backbone interact. energy: 2.333 local terms energy: -241.123018 where: bonds (distance) C4'-P energy: -47.529 bonds (distance) P-C4' energy: -58.140 flat angles C4'-P-C4' energy: -50.975 flat angles P-C4'-P energy: -41.221 tors. eta vs tors. theta energy: -43.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -661.113787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.113787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.113787 (E_RNA) where: Base-Base interactions energy: -433.631 where: short stacking energy: -179.357 Base-Backbone interact. energy: -1.420 local terms energy: -226.062855 where: bonds (distance) C4'-P energy: -50.409 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -56.599 flat angles P-C4'-P energy: -36.067 tors. eta vs tors. theta energy: -19.878 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: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -455.022719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.022719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.022719 (E_RNA) where: Base-Base interactions energy: -257.366 where: short stacking energy: -139.597 Base-Backbone interact. energy: -1.052 local terms energy: -196.604273 where: bonds (distance) C4'-P energy: -55.617 bonds (distance) P-C4' energy: -53.770 flat angles C4'-P-C4' energy: -49.563 flat angles P-C4'-P energy: -23.254 tors. eta vs tors. theta energy: -14.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1147.456258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.456258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.456258 (E_RNA) where: Base-Base interactions energy: -803.776 where: short stacking energy: -358.992 Base-Backbone interact. energy: -0.852 local terms energy: -342.828227 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -63.102 flat angles C4'-P-C4' energy: -79.627 flat angles P-C4'-P energy: -44.504 tors. eta vs tors. theta energy: -98.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1134.597914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.597914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.597914 (E_RNA) where: Base-Base interactions energy: -800.244 where: short stacking energy: -331.765 Base-Backbone interact. energy: -2.334 local terms energy: -332.019987 where: bonds (distance) C4'-P energy: -59.611 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -73.780 flat angles P-C4'-P energy: -32.157 tors. eta vs tors. theta energy: -96.086 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: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1041.189314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.189314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.189314 (E_RNA) where: Base-Base interactions energy: -705.197 where: short stacking energy: -328.979 Base-Backbone interact. energy: -1.194 local terms energy: -334.797645 where: bonds (distance) C4'-P energy: -57.150 bonds (distance) P-C4' energy: -68.010 flat angles C4'-P-C4' energy: -71.547 flat angles P-C4'-P energy: -46.790 tors. eta vs tors. theta energy: -91.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -989.786649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.786649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.786649 (E_RNA) where: Base-Base interactions energy: -660.684 where: short stacking energy: -327.291 Base-Backbone interact. energy: -0.206 local terms energy: -328.895953 where: bonds (distance) C4'-P energy: -52.611 bonds (distance) P-C4' energy: -62.723 flat angles C4'-P-C4' energy: -71.629 flat angles P-C4'-P energy: -47.124 tors. eta vs tors. theta energy: -94.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -952.450058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.450058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.450058 (E_RNA) where: Base-Base interactions energy: -650.531 where: short stacking energy: -296.303 Base-Backbone interact. energy: -0.928 local terms energy: -300.990974 where: bonds (distance) C4'-P energy: -47.814 bonds (distance) P-C4' energy: -62.467 flat angles C4'-P-C4' energy: -71.493 flat angles P-C4'-P energy: -38.271 tors. eta vs tors. theta energy: -80.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -949.274993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.274993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.274993 (E_RNA) where: Base-Base interactions energy: -660.854 where: short stacking energy: -289.111 Base-Backbone interact. energy: -1.140 local terms energy: -287.280195 where: bonds (distance) C4'-P energy: -50.110 bonds (distance) P-C4' energy: -55.229 flat angles C4'-P-C4' energy: -59.505 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: -77.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -829.144479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.144479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.144479 (E_RNA) where: Base-Base interactions energy: -538.371 where: short stacking energy: -263.325 Base-Backbone interact. energy: -1.829 local terms energy: -288.944530 where: bonds (distance) C4'-P energy: -55.464 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -75.563 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: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -787.660140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.660140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.660140 (E_RNA) where: Base-Base interactions energy: -522.849 where: short stacking energy: -231.277 Base-Backbone interact. energy: -1.043 local terms energy: -263.767882 where: bonds (distance) C4'-P energy: -44.482 bonds (distance) P-C4' energy: -68.081 flat angles C4'-P-C4' energy: -58.258 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -49.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -652.372316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.372316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.372316 (E_RNA) where: Base-Base interactions energy: -427.130 where: short stacking energy: -193.350 Base-Backbone interact. energy: -1.516 local terms energy: -223.726098 where: bonds (distance) C4'-P energy: -54.334 bonds (distance) P-C4' energy: -44.437 flat angles C4'-P-C4' energy: -51.408 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: -32.822 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: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -437.223102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.223102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.223102 (E_RNA) where: Base-Base interactions energy: -242.234 where: short stacking energy: -123.648 Base-Backbone interact. energy: -0.560 local terms energy: -194.429674 where: bonds (distance) C4'-P energy: -46.560 bonds (distance) P-C4' energy: -64.309 flat angles C4'-P-C4' energy: -41.527 flat angles P-C4'-P energy: -25.433 tors. eta vs tors. theta energy: -16.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1149.373984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.373984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.373984 (E_RNA) where: Base-Base interactions energy: -801.822 where: short stacking energy: -350.484 Base-Backbone interact. energy: -0.754 local terms energy: -346.797921 where: bonds (distance) C4'-P energy: -59.398 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -69.961 flat angles P-C4'-P energy: -56.065 tors. eta vs tors. theta energy: -95.577 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1119.000615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.000615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.000615 (E_RNA) where: Base-Base interactions energy: -784.604 where: short stacking energy: -327.065 Base-Backbone interact. energy: -1.779 local terms energy: -332.617520 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -66.750 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -43.710 tors. eta vs tors. theta energy: -88.240 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: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1049.565572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.565572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.565572 (E_RNA) where: Base-Base interactions energy: -722.709 where: short stacking energy: -322.362 Base-Backbone interact. energy: -0.878 local terms energy: -325.978913 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -68.085 flat angles P-C4'-P energy: -45.496 tors. eta vs tors. theta energy: -85.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -998.491540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.491540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.491540 (E_RNA) where: Base-Base interactions energy: -672.550 where: short stacking energy: -308.871 Base-Backbone interact. energy: -1.013 local terms energy: -324.928494 where: bonds (distance) C4'-P energy: -56.087 bonds (distance) P-C4' energy: -65.555 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -85.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -953.504845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.504845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.504845 (E_RNA) where: Base-Base interactions energy: -637.143 where: short stacking energy: -283.293 Base-Backbone interact. energy: -1.013 local terms energy: -315.349108 where: bonds (distance) C4'-P energy: -52.207 bonds (distance) P-C4' energy: -69.598 flat angles C4'-P-C4' energy: -59.714 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -81.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -968.458009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.458009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.458009 (E_RNA) where: Base-Base interactions energy: -667.625 where: short stacking energy: -285.946 Base-Backbone interact. energy: -0.745 local terms energy: -300.087978 where: bonds (distance) C4'-P energy: -57.956 bonds (distance) P-C4' energy: -46.634 flat angles C4'-P-C4' energy: -57.588 flat angles P-C4'-P energy: -42.629 tors. eta vs tors. theta energy: -95.281 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: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -820.449956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.449956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.449956 (E_RNA) where: Base-Base interactions energy: -545.128 where: short stacking energy: -278.392 Base-Backbone interact. energy: 1.650 local terms energy: -276.971890 where: bonds (distance) C4'-P energy: -57.117 bonds (distance) P-C4' energy: -54.074 flat angles C4'-P-C4' energy: -62.365 flat angles P-C4'-P energy: -41.904 tors. eta vs tors. theta energy: -61.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -783.955725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.955725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.955725 (E_RNA) where: Base-Base interactions energy: -547.610 where: short stacking energy: -235.919 Base-Backbone interact. energy: 4.747 local terms energy: -241.093093 where: bonds (distance) C4'-P energy: -50.492 bonds (distance) P-C4' energy: -50.272 flat angles C4'-P-C4' energy: -54.180 flat angles P-C4'-P energy: -29.930 tors. eta vs tors. theta energy: -56.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -659.989202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.989202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.989202 (E_RNA) where: Base-Base interactions energy: -423.894 where: short stacking energy: -216.203 Base-Backbone interact. energy: 1.437 local terms energy: -237.531800 where: bonds (distance) C4'-P energy: -55.388 bonds (distance) P-C4' energy: -48.506 flat angles C4'-P-C4' energy: -56.905 flat angles P-C4'-P energy: -33.729 tors. eta vs tors. theta energy: -43.003 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: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -454.708155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.708155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.708155 (E_RNA) where: Base-Base interactions energy: -250.617 where: short stacking energy: -119.985 Base-Backbone interact. energy: 0.790 local terms energy: -204.881520 where: bonds (distance) C4'-P energy: -53.636 bonds (distance) P-C4' energy: -49.409 flat angles C4'-P-C4' energy: -56.846 flat angles P-C4'-P energy: -26.851 tors. eta vs tors. theta energy: -18.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1140.991717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.991717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.991717 (E_RNA) where: Base-Base interactions energy: -778.384 where: short stacking energy: -329.257 Base-Backbone interact. energy: -2.971 local terms energy: -359.636620 where: bonds (distance) C4'-P energy: -74.017 bonds (distance) P-C4' energy: -68.780 flat angles C4'-P-C4' energy: -74.408 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -95.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1137.676554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.676554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.676554 (E_RNA) where: Base-Base interactions energy: -797.286 where: short stacking energy: -353.198 Base-Backbone interact. energy: -1.563 local terms energy: -338.827451 where: bonds (distance) C4'-P energy: -62.882 bonds (distance) P-C4' energy: -62.701 flat angles C4'-P-C4' energy: -67.538 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -101.506 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: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1038.512997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.512997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.512997 (E_RNA) where: Base-Base interactions energy: -718.061 where: short stacking energy: -337.816 Base-Backbone interact. energy: 1.244 local terms energy: -321.696017 where: bonds (distance) C4'-P energy: -51.669 bonds (distance) P-C4' energy: -59.294 flat angles C4'-P-C4' energy: -71.963 flat angles P-C4'-P energy: -46.639 tors. eta vs tors. theta energy: -92.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -981.725187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.725187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.725187 (E_RNA) where: Base-Base interactions energy: -673.159 where: short stacking energy: -286.736 Base-Backbone interact. energy: -0.417 local terms energy: -308.148887 where: bonds (distance) C4'-P energy: -57.926 bonds (distance) P-C4' energy: -66.266 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -78.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -945.977563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.977563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.977563 (E_RNA) where: Base-Base interactions energy: -651.859 where: short stacking energy: -296.222 Base-Backbone interact. energy: 1.071 local terms energy: -295.189948 where: bonds (distance) C4'-P energy: -46.394 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -36.576 tors. eta vs tors. theta energy: -80.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -947.823270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.823270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.823270 (E_RNA) where: Base-Base interactions energy: -634.519 where: short stacking energy: -277.418 Base-Backbone interact. energy: -1.193 local terms energy: -312.111267 where: bonds (distance) C4'-P energy: -71.046 bonds (distance) P-C4' energy: -54.861 flat angles C4'-P-C4' energy: -55.075 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -84.136 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: 270 Temperature: 1.200000 Total energy: -869.147829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.147829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.147829 (E_RNA) where: Base-Base interactions energy: -594.088 where: short stacking energy: -266.097 Base-Backbone interact. energy: -1.628 local terms energy: -273.432304 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -55.602 flat angles C4'-P-C4' energy: -63.112 flat angles P-C4'-P energy: -30.680 tors. eta vs tors. theta energy: -74.607 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: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -736.796814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.796814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.796814 (E_RNA) where: Base-Base interactions energy: -502.454 where: short stacking energy: -221.197 Base-Backbone interact. energy: 3.460 local terms energy: -237.803155 where: bonds (distance) C4'-P energy: -53.145 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -50.680 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -41.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -624.687119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.687119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.687119 (E_RNA) where: Base-Base interactions energy: -400.361 where: short stacking energy: -200.100 Base-Backbone interact. energy: -1.565 local terms energy: -222.761012 where: bonds (distance) C4'-P energy: -52.498 bonds (distance) P-C4' energy: -48.433 flat angles C4'-P-C4' energy: -48.374 flat angles P-C4'-P energy: -26.952 tors. eta vs tors. theta energy: -46.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -462.187355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.187355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.187355 (E_RNA) where: Base-Base interactions energy: -266.711 where: short stacking energy: -123.063 Base-Backbone interact. energy: 3.286 local terms energy: -198.761871 where: bonds (distance) C4'-P energy: -53.077 bonds (distance) P-C4' energy: -55.879 flat angles C4'-P-C4' energy: -41.686 flat angles P-C4'-P energy: -37.340 tors. eta vs tors. theta energy: -10.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1133.190256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.190256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.190256 (E_RNA) where: Base-Base interactions energy: -791.519 where: short stacking energy: -332.127 Base-Backbone interact. energy: -2.402 local terms energy: -339.269473 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -57.249 flat angles C4'-P-C4' energy: -72.358 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -96.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1126.637717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.637717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.637717 (E_RNA) where: Base-Base interactions energy: -791.833 where: short stacking energy: -355.750 Base-Backbone interact. energy: -1.707 local terms energy: -333.097841 where: bonds (distance) C4'-P energy: -51.378 bonds (distance) P-C4' energy: -53.796 flat angles C4'-P-C4' energy: -78.244 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -95.354 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: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1064.590489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.590489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.590489 (E_RNA) where: Base-Base interactions energy: -727.872 where: short stacking energy: -342.163 Base-Backbone interact. energy: -1.881 local terms energy: -334.837690 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -66.155 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -100.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -970.022389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.022389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.022389 (E_RNA) where: Base-Base interactions energy: -671.940 where: short stacking energy: -306.684 Base-Backbone interact. energy: -0.594 local terms energy: -297.488085 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -49.200 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -77.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -958.515605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.515605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.515605 (E_RNA) where: Base-Base interactions energy: -669.095 where: short stacking energy: -310.972 Base-Backbone interact. energy: -1.364 local terms energy: -288.056118 where: bonds (distance) C4'-P energy: -48.231 bonds (distance) P-C4' energy: -61.463 flat angles C4'-P-C4' energy: -57.976 flat angles P-C4'-P energy: -40.217 tors. eta vs tors. theta energy: -80.169 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: 271 Temperature: 1.150000 Total energy: -932.181277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.181277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.181277 (E_RNA) where: Base-Base interactions energy: -635.684 where: short stacking energy: -285.594 Base-Backbone interact. energy: -1.308 local terms energy: -295.189937 where: bonds (distance) C4'-P energy: -53.148 bonds (distance) P-C4' energy: -59.057 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -45.770 tors. eta vs tors. theta energy: -82.043 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: 271 Temperature: 1.200000 Total energy: -841.056379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.056379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.056379 (E_RNA) where: Base-Base interactions energy: -565.254 where: short stacking energy: -258.746 Base-Backbone interact. energy: -0.596 local terms energy: -275.205913 where: bonds (distance) C4'-P energy: -61.856 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -53.680 flat angles P-C4'-P energy: -39.653 tors. eta vs tors. theta energy: -64.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -733.205808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.205808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.205808 (E_RNA) where: Base-Base interactions energy: -495.084 where: short stacking energy: -212.091 Base-Backbone interact. energy: -0.917 local terms energy: -237.204872 where: bonds (distance) C4'-P energy: -45.752 bonds (distance) P-C4' energy: -57.514 flat angles C4'-P-C4' energy: -49.748 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: -40.289 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: 271 Temperature: 1.300000 Total energy: -660.330794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.330794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.330794 (E_RNA) where: Base-Base interactions energy: -430.070 where: short stacking energy: -197.077 Base-Backbone interact. energy: -0.838 local terms energy: -229.422913 where: bonds (distance) C4'-P energy: -52.961 bonds (distance) P-C4' energy: -57.366 flat angles C4'-P-C4' energy: -43.067 flat angles P-C4'-P energy: -31.844 tors. eta vs tors. theta energy: -44.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -460.647332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.647332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.647332 (E_RNA) where: Base-Base interactions energy: -283.341 where: short stacking energy: -152.265 Base-Backbone interact. energy: -0.075 local terms energy: -177.230926 where: bonds (distance) C4'-P energy: -44.845 bonds (distance) P-C4' energy: -45.481 flat angles C4'-P-C4' energy: -46.401 flat angles P-C4'-P energy: -22.968 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: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1146.357675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.357675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.357675 (E_RNA) where: Base-Base interactions energy: -795.101 where: short stacking energy: -335.739 Base-Backbone interact. energy: -2.557 local terms energy: -348.699428 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -64.976 flat angles C4'-P-C4' energy: -78.948 flat angles P-C4'-P energy: -52.217 tors. eta vs tors. theta energy: -91.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1125.567121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.567121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.567121 (E_RNA) where: Base-Base interactions energy: -787.976 where: short stacking energy: -343.035 Base-Backbone interact. energy: -1.497 local terms energy: -336.094097 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -63.775 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -50.576 tors. eta vs tors. theta energy: -97.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1039.936659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.936659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.936659 (E_RNA) where: Base-Base interactions energy: -698.804 where: short stacking energy: -331.144 Base-Backbone interact. energy: -0.836 local terms energy: -340.297320 where: bonds (distance) C4'-P energy: -69.401 bonds (distance) P-C4' energy: -60.662 flat angles C4'-P-C4' energy: -74.190 flat angles P-C4'-P energy: -47.526 tors. eta vs tors. theta energy: -88.519 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: 4, replica: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -992.942752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.942752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.942752 (E_RNA) where: Base-Base interactions energy: -670.364 where: short stacking energy: -303.874 Base-Backbone interact. energy: -0.345 local terms energy: -322.233445 where: bonds (distance) C4'-P energy: -60.224 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -66.101 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -83.218 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: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -965.245919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.245919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.245919 (E_RNA) where: Base-Base interactions energy: -655.499 where: short stacking energy: -301.743 Base-Backbone interact. energy: 0.202 local terms energy: -309.948459 where: bonds (distance) C4'-P energy: -55.577 bonds (distance) P-C4' energy: -47.840 flat angles C4'-P-C4' energy: -76.823 flat angles P-C4'-P energy: -47.536 tors. eta vs tors. theta energy: -82.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -909.151585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.151585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.151585 (E_RNA) where: Base-Base interactions energy: -632.142 where: short stacking energy: -280.956 Base-Backbone interact. energy: -0.750 local terms energy: -276.259744 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -68.358 flat angles P-C4'-P energy: -27.142 tors. eta vs tors. theta energy: -68.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -843.366298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.366298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.366298 (E_RNA) where: Base-Base interactions energy: -570.475 where: short stacking energy: -267.222 Base-Backbone interact. energy: -2.022 local terms energy: -270.869609 where: bonds (distance) C4'-P energy: -49.825 bonds (distance) P-C4' energy: -64.018 flat angles C4'-P-C4' energy: -60.775 flat angles P-C4'-P energy: -33.350 tors. eta vs tors. theta energy: -62.901 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: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -760.862195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.862195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.862195 (E_RNA) where: Base-Base interactions energy: -510.073 where: short stacking energy: -216.377 Base-Backbone interact. energy: 1.725 local terms energy: -252.514151 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -60.520 flat angles C4'-P-C4' energy: -61.883 flat angles P-C4'-P energy: -34.732 tors. eta vs tors. theta energy: -38.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -679.496048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.496048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.496048 (E_RNA) where: Base-Base interactions energy: -447.669 where: short stacking energy: -192.873 Base-Backbone interact. energy: -0.111 local terms energy: -231.715881 where: bonds (distance) C4'-P energy: -56.162 bonds (distance) P-C4' energy: -55.754 flat angles C4'-P-C4' energy: -45.360 flat angles P-C4'-P energy: -35.965 tors. eta vs tors. theta energy: -38.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -456.092240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.092240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.092240 (E_RNA) where: Base-Base interactions energy: -256.986 where: short stacking energy: -138.599 Base-Backbone interact. energy: -1.108 local terms energy: -197.998203 where: bonds (distance) C4'-P energy: -47.142 bonds (distance) P-C4' energy: -41.890 flat angles C4'-P-C4' energy: -56.476 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1162.508663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.508663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.508663 (E_RNA) where: Base-Base interactions energy: -817.382 where: short stacking energy: -352.782 Base-Backbone interact. energy: -2.070 local terms energy: -343.056317 where: bonds (distance) C4'-P energy: -69.293 bonds (distance) P-C4' energy: -62.558 flat angles C4'-P-C4' energy: -68.540 flat angles P-C4'-P energy: -42.798 tors. eta vs tors. theta energy: -99.867 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: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1130.851309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.851309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.851309 (E_RNA) where: Base-Base interactions energy: -781.425 where: short stacking energy: -337.637 Base-Backbone interact. energy: -1.562 local terms energy: -347.864370 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -62.644 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -45.967 tors. eta vs tors. theta energy: -97.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1068.917227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.917227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.917227 (E_RNA) where: Base-Base interactions energy: -740.035 where: short stacking energy: -354.690 Base-Backbone interact. energy: -1.095 local terms energy: -327.787332 where: bonds (distance) C4'-P energy: -52.556 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -69.358 flat angles P-C4'-P energy: -38.636 tors. eta vs tors. theta energy: -97.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -974.843482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.843482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.843482 (E_RNA) where: Base-Base interactions energy: -665.248 where: short stacking energy: -308.900 Base-Backbone interact. energy: -1.721 local terms energy: -307.874773 where: bonds (distance) C4'-P energy: -65.126 bonds (distance) P-C4' energy: -57.094 flat angles C4'-P-C4' energy: -59.344 flat angles P-C4'-P energy: -41.263 tors. eta vs tors. theta energy: -85.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -997.155631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.155631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.155631 (E_RNA) where: Base-Base interactions energy: -691.475 where: short stacking energy: -301.320 Base-Backbone interact. energy: 0.648 local terms energy: -306.329227 where: bonds (distance) C4'-P energy: -54.613 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -61.256 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -84.512 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: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -931.904678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.904678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.904678 (E_RNA) where: Base-Base interactions energy: -633.256 where: short stacking energy: -274.226 Base-Backbone interact. energy: -0.927 local terms energy: -297.721673 where: bonds (distance) C4'-P energy: -53.724 bonds (distance) P-C4' energy: -60.119 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -77.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -792.077822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.077822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.077822 (E_RNA) where: Base-Base interactions energy: -521.474 where: short stacking energy: -244.845 Base-Backbone interact. energy: 0.098 local terms energy: -270.702609 where: bonds (distance) C4'-P energy: -56.163 bonds (distance) P-C4' energy: -61.441 flat angles C4'-P-C4' energy: -64.967 flat angles P-C4'-P energy: -38.684 tors. eta vs tors. theta energy: -49.448 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: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -792.293278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.293278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.293278 (E_RNA) where: Base-Base interactions energy: -533.109 where: short stacking energy: -218.257 Base-Backbone interact. energy: 1.997 local terms energy: -261.180480 where: bonds (distance) C4'-P energy: -49.452 bonds (distance) P-C4' energy: -63.459 flat angles C4'-P-C4' energy: -51.642 flat angles P-C4'-P energy: -33.946 tors. eta vs tors. theta energy: -62.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -643.502787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.502787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.502787 (E_RNA) where: Base-Base interactions energy: -417.734 where: short stacking energy: -171.563 Base-Backbone interact. energy: 1.297 local terms energy: -227.065803 where: bonds (distance) C4'-P energy: -60.304 bonds (distance) P-C4' energy: -58.338 flat angles C4'-P-C4' energy: -48.095 flat angles P-C4'-P energy: -38.881 tors. eta vs tors. theta energy: -21.448 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: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -456.648592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.648592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.648592 (E_RNA) where: Base-Base interactions energy: -263.260 where: short stacking energy: -138.551 Base-Backbone interact. energy: -1.144 local terms energy: -192.244593 where: bonds (distance) C4'-P energy: -56.181 bonds (distance) P-C4' energy: -49.766 flat angles C4'-P-C4' energy: -48.412 flat angles P-C4'-P energy: -22.986 tors. eta vs tors. theta energy: -14.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1152.053828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.053828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.053828 (E_RNA) where: Base-Base interactions energy: -802.781 where: short stacking energy: -354.362 Base-Backbone interact. energy: -3.020 local terms energy: -346.252604 where: bonds (distance) C4'-P energy: -68.309 bonds (distance) P-C4' energy: -70.318 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -95.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1120.161905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.161905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.161905 (E_RNA) where: Base-Base interactions energy: -799.032 where: short stacking energy: -339.319 Base-Backbone interact. energy: -1.887 local terms energy: -319.243317 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -54.437 flat angles C4'-P-C4' energy: -70.104 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -89.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1049.898680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.898680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.898680 (E_RNA) where: Base-Base interactions energy: -704.584 where: short stacking energy: -322.439 Base-Backbone interact. energy: -0.034 local terms energy: -345.280912 where: bonds (distance) C4'-P energy: -59.059 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -77.814 flat angles P-C4'-P energy: -45.722 tors. eta vs tors. theta energy: -95.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -987.756149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.756149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.756149 (E_RNA) where: Base-Base interactions energy: -681.363 where: short stacking energy: -303.704 Base-Backbone interact. energy: -2.154 local terms energy: -304.238498 where: bonds (distance) C4'-P energy: -56.059 bonds (distance) P-C4' energy: -57.181 flat angles C4'-P-C4' energy: -73.351 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -78.528 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: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -983.888259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.888259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.888259 (E_RNA) where: Base-Base interactions energy: -669.679 where: short stacking energy: -315.649 Base-Backbone interact. energy: -0.715 local terms energy: -313.494541 where: bonds (distance) C4'-P energy: -51.806 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -67.464 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -85.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -939.308973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.308973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.308973 (E_RNA) where: Base-Base interactions energy: -636.366 where: short stacking energy: -289.936 Base-Backbone interact. energy: -0.841 local terms energy: -302.101262 where: bonds (distance) C4'-P energy: -59.446 bonds (distance) P-C4' energy: -58.235 flat angles C4'-P-C4' energy: -63.041 flat angles P-C4'-P energy: -36.903 tors. eta vs tors. theta energy: -84.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -828.486969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.486969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.486969 (E_RNA) where: Base-Base interactions energy: -554.855 where: short stacking energy: -243.278 Base-Backbone interact. energy: -1.300 local terms energy: -272.332640 where: bonds (distance) C4'-P energy: -56.149 bonds (distance) P-C4' energy: -48.095 flat angles C4'-P-C4' energy: -62.408 flat angles P-C4'-P energy: -41.599 tors. eta vs tors. theta energy: -64.080 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: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -826.566030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.566030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.566030 (E_RNA) where: Base-Base interactions energy: -546.952 where: short stacking energy: -265.167 Base-Backbone interact. energy: -0.821 local terms energy: -278.792829 where: bonds (distance) C4'-P energy: -48.947 bonds (distance) P-C4' energy: -62.502 flat angles C4'-P-C4' energy: -67.694 flat angles P-C4'-P energy: -29.693 tors. eta vs tors. theta energy: -69.958 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: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -686.372639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.372639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.372639 (E_RNA) where: Base-Base interactions energy: -449.019 where: short stacking energy: -191.232 Base-Backbone interact. energy: -1.555 local terms energy: -235.798283 where: bonds (distance) C4'-P energy: -48.230 bonds (distance) P-C4' energy: -66.231 flat angles C4'-P-C4' energy: -56.977 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -25.214 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: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -522.773392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.773392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.773392 (E_RNA) where: Base-Base interactions energy: -316.987 where: short stacking energy: -155.071 Base-Backbone interact. energy: 1.975 local terms energy: -207.761115 where: bonds (distance) C4'-P energy: -48.646 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -40.910 flat angles P-C4'-P energy: -28.885 tors. eta vs tors. theta energy: -29.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1163.720640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.720640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.720640 (E_RNA) where: Base-Base interactions energy: -816.251 where: short stacking energy: -352.076 Base-Backbone interact. energy: 0.554 local terms energy: -348.024302 where: bonds (distance) C4'-P energy: -64.503 bonds (distance) P-C4' energy: -65.040 flat angles C4'-P-C4' energy: -70.208 flat angles P-C4'-P energy: -51.391 tors. eta vs tors. theta energy: -96.882 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: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1125.753147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.753147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.753147 (E_RNA) where: Base-Base interactions energy: -794.839 where: short stacking energy: -341.537 Base-Backbone interact. energy: -1.498 local terms energy: -329.416147 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -57.992 flat angles C4'-P-C4' energy: -68.981 flat angles P-C4'-P energy: -48.606 tors. eta vs tors. theta energy: -99.209 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: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1040.755243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.755243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.755243 (E_RNA) where: Base-Base interactions energy: -725.885 where: short stacking energy: -334.949 Base-Backbone interact. energy: -0.939 local terms energy: -313.930873 where: bonds (distance) C4'-P energy: -48.998 bonds (distance) P-C4' energy: -55.123 flat angles C4'-P-C4' energy: -72.328 flat angles P-C4'-P energy: -46.032 tors. eta vs tors. theta energy: -91.450 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: 275 Temperature: 1.050000 Total energy: -982.209698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.209698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.209698 (E_RNA) where: Base-Base interactions energy: -678.690 where: short stacking energy: -304.927 Base-Backbone interact. energy: -0.894 local terms energy: -302.624975 where: bonds (distance) C4'-P energy: -50.659 bonds (distance) P-C4' energy: -53.794 flat angles C4'-P-C4' energy: -71.421 flat angles P-C4'-P energy: -41.551 tors. eta vs tors. theta energy: -85.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -962.434627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.434627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.434627 (E_RNA) where: Base-Base interactions energy: -648.800 where: short stacking energy: -304.675 Base-Backbone interact. energy: -0.293 local terms energy: -313.341307 where: bonds (distance) C4'-P energy: -58.551 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -40.117 tors. eta vs tors. theta energy: -91.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -936.428511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.428511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.428511 (E_RNA) where: Base-Base interactions energy: -634.266 where: short stacking energy: -287.900 Base-Backbone interact. energy: -0.751 local terms energy: -301.411092 where: bonds (distance) C4'-P energy: -63.876 bonds (distance) P-C4' energy: -61.414 flat angles C4'-P-C4' energy: -61.975 flat angles P-C4'-P energy: -43.922 tors. eta vs tors. theta energy: -70.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -828.533737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.533737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.533737 (E_RNA) where: Base-Base interactions energy: -563.396 where: short stacking energy: -232.173 Base-Backbone interact. energy: 4.825 local terms energy: -269.962576 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -49.569 flat angles C4'-P-C4' energy: -64.160 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -47.261 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: 275 Temperature: 1.250000 Total energy: -707.841131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.841131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.841131 (E_RNA) where: Base-Base interactions energy: -469.617 where: short stacking energy: -232.851 Base-Backbone interact. energy: -1.843 local terms energy: -236.381736 where: bonds (distance) C4'-P energy: -41.225 bonds (distance) P-C4' energy: -56.209 flat angles C4'-P-C4' energy: -51.734 flat angles P-C4'-P energy: -34.882 tors. eta vs tors. theta energy: -52.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -747.061002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.061002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.061002 (E_RNA) where: Base-Base interactions energy: -490.835 where: short stacking energy: -239.240 Base-Backbone interact. energy: -0.032 local terms energy: -256.194302 where: bonds (distance) C4'-P energy: -48.168 bonds (distance) P-C4' energy: -49.074 flat angles C4'-P-C4' energy: -56.478 flat angles P-C4'-P energy: -37.443 tors. eta vs tors. theta energy: -65.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -630.483113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.483113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.483113 (E_RNA) where: Base-Base interactions energy: -420.798 where: short stacking energy: -171.996 Base-Backbone interact. energy: -0.241 local terms energy: -209.444169 where: bonds (distance) C4'-P energy: -52.634 bonds (distance) P-C4' energy: -53.800 flat angles C4'-P-C4' energy: -57.784 flat angles P-C4'-P energy: -26.371 tors. eta vs tors. theta energy: -18.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1147.642698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.642698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.642698 (E_RNA) where: Base-Base interactions energy: -804.691 where: short stacking energy: -350.520 Base-Backbone interact. energy: -2.892 local terms energy: -340.059668 where: bonds (distance) C4'-P energy: -61.669 bonds (distance) P-C4' energy: -65.877 flat angles C4'-P-C4' energy: -79.084 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -91.063 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: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1130.490941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.490941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.490941 (E_RNA) where: Base-Base interactions energy: -798.645 where: short stacking energy: -358.818 Base-Backbone interact. energy: -1.900 local terms energy: -329.946556 where: bonds (distance) C4'-P energy: -49.542 bonds (distance) P-C4' energy: -60.578 flat angles C4'-P-C4' energy: -78.836 flat angles P-C4'-P energy: -42.800 tors. eta vs tors. theta energy: -98.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1039.423921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.423921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.423921 (E_RNA) where: Base-Base interactions energy: -713.347 where: short stacking energy: -323.767 Base-Backbone interact. energy: 1.071 local terms energy: -327.148018 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -60.921 flat angles C4'-P-C4' energy: -69.536 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -89.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -973.685876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.685876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.685876 (E_RNA) where: Base-Base interactions energy: -658.553 where: short stacking energy: -293.613 Base-Backbone interact. energy: -0.337 local terms energy: -314.796243 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -71.047 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -80.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -954.638047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.638047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.638047 (E_RNA) where: Base-Base interactions energy: -656.031 where: short stacking energy: -292.174 Base-Backbone interact. energy: -0.519 local terms energy: -298.088367 where: bonds (distance) C4'-P energy: -50.343 bonds (distance) P-C4' energy: -61.165 flat angles C4'-P-C4' energy: -68.562 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: -80.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -949.740406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.740406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.740406 (E_RNA) where: Base-Base interactions energy: -646.604 where: short stacking energy: -306.087 Base-Backbone interact. energy: -1.342 local terms energy: -301.794614 where: bonds (distance) C4'-P energy: -58.149 bonds (distance) P-C4' energy: -58.893 flat angles C4'-P-C4' energy: -67.565 flat angles P-C4'-P energy: -30.807 tors. eta vs tors. theta energy: -86.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -821.124838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.124838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.124838 (E_RNA) where: Base-Base interactions energy: -561.328 where: short stacking energy: -241.226 Base-Backbone interact. energy: -1.986 local terms energy: -257.810743 where: bonds (distance) C4'-P energy: -40.129 bonds (distance) P-C4' energy: -55.511 flat angles C4'-P-C4' energy: -61.447 flat angles P-C4'-P energy: -43.108 tors. eta vs tors. theta energy: -57.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -668.827744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.827744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.827744 (E_RNA) where: Base-Base interactions energy: -437.595 where: short stacking energy: -184.880 Base-Backbone interact. energy: 1.436 local terms energy: -232.669350 where: bonds (distance) C4'-P energy: -51.964 bonds (distance) P-C4' energy: -55.939 flat angles C4'-P-C4' energy: -40.868 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -45.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -749.167269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.167269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.167269 (E_RNA) where: Base-Base interactions energy: -500.557 where: short stacking energy: -245.611 Base-Backbone interact. energy: 0.475 local terms energy: -249.085195 where: bonds (distance) C4'-P energy: -46.168 bonds (distance) P-C4' energy: -60.381 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -19.310 tors. eta vs tors. theta energy: -58.816 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: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -640.110480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.110480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.110480 (E_RNA) where: Base-Base interactions energy: -418.192 where: short stacking energy: -184.141 Base-Backbone interact. energy: -0.372 local terms energy: -221.546409 where: bonds (distance) C4'-P energy: -40.137 bonds (distance) P-C4' energy: -51.385 flat angles C4'-P-C4' energy: -52.065 flat angles P-C4'-P energy: -35.806 tors. eta vs tors. theta energy: -42.153 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: 277 Temperature: 0.900000 Total energy: -1140.626001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.626001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.626001 (E_RNA) where: Base-Base interactions energy: -807.136 where: short stacking energy: -343.293 Base-Backbone interact. energy: 0.670 local terms energy: -334.160053 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -69.606 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: -96.067 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: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1122.108707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.108707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.108707 (E_RNA) where: Base-Base interactions energy: -788.136 where: short stacking energy: -334.699 Base-Backbone interact. energy: -1.594 local terms energy: -332.379063 where: bonds (distance) C4'-P energy: -65.091 bonds (distance) P-C4' energy: -60.938 flat angles C4'-P-C4' energy: -68.800 flat angles P-C4'-P energy: -50.424 tors. eta vs tors. theta energy: -87.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1037.039284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.039284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.039284 (E_RNA) where: Base-Base interactions energy: -701.853 where: short stacking energy: -308.728 Base-Backbone interact. energy: -4.513 local terms energy: -330.673299 where: bonds (distance) C4'-P energy: -52.314 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -72.321 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -88.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -994.172523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.172523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.172523 (E_RNA) where: Base-Base interactions energy: -669.835 where: short stacking energy: -311.910 Base-Backbone interact. energy: -0.977 local terms energy: -323.359780 where: bonds (distance) C4'-P energy: -57.187 bonds (distance) P-C4' energy: -66.153 flat angles C4'-P-C4' energy: -65.316 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -84.677 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: 277 Temperature: 1.100000 Total energy: -978.677590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.677590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.677590 (E_RNA) where: Base-Base interactions energy: -668.813 where: short stacking energy: -301.918 Base-Backbone interact. energy: -0.991 local terms energy: -308.872968 where: bonds (distance) C4'-P energy: -52.225 bonds (distance) P-C4' energy: -61.620 flat angles C4'-P-C4' energy: -60.872 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -89.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -953.588967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.588967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.588967 (E_RNA) where: Base-Base interactions energy: -661.265 where: short stacking energy: -306.039 Base-Backbone interact. energy: 7.354 local terms energy: -299.677587 where: bonds (distance) C4'-P energy: -58.907 bonds (distance) P-C4' energy: -51.826 flat angles C4'-P-C4' energy: -58.235 flat angles P-C4'-P energy: -47.223 tors. eta vs tors. theta energy: -83.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -859.742931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.742931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.742931 (E_RNA) where: Base-Base interactions energy: -576.447 where: short stacking energy: -261.365 Base-Backbone interact. energy: 1.091 local terms energy: -284.386998 where: bonds (distance) C4'-P energy: -54.048 bonds (distance) P-C4' energy: -58.497 flat angles C4'-P-C4' energy: -66.107 flat angles P-C4'-P energy: -40.518 tors. eta vs tors. theta energy: -65.217 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: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -768.064892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.064892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.064892 (E_RNA) where: Base-Base interactions energy: -523.960 where: short stacking energy: -246.428 Base-Backbone interact. energy: -0.657 local terms energy: -243.447547 where: bonds (distance) C4'-P energy: -43.980 bonds (distance) P-C4' energy: -57.423 flat angles C4'-P-C4' energy: -52.729 flat angles P-C4'-P energy: -29.168 tors. eta vs tors. theta energy: -60.148 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: 277 Temperature: 1.300000 Total energy: -666.830860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.830860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.830860 (E_RNA) where: Base-Base interactions energy: -455.843 where: short stacking energy: -213.979 Base-Backbone interact. energy: 1.919 local terms energy: -212.906627 where: bonds (distance) C4'-P energy: -50.930 bonds (distance) P-C4' energy: -48.596 flat angles C4'-P-C4' energy: -46.710 flat angles P-C4'-P energy: -22.779 tors. eta vs tors. theta energy: -43.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -624.548018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.548018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.548018 (E_RNA) where: Base-Base interactions energy: -396.464 where: short stacking energy: -171.970 Base-Backbone interact. energy: -2.112 local terms energy: -225.972340 where: bonds (distance) C4'-P energy: -52.784 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -48.211 flat angles P-C4'-P energy: -30.035 tors. eta vs tors. theta energy: -32.570 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: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1175.242355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.242355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.242355 (E_RNA) where: Base-Base interactions energy: -818.659 where: short stacking energy: -351.739 Base-Backbone interact. energy: -0.987 local terms energy: -355.595877 where: bonds (distance) C4'-P energy: -64.732 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -79.612 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -89.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1113.391427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.391427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.391427 (E_RNA) where: Base-Base interactions energy: -784.325 where: short stacking energy: -317.127 Base-Backbone interact. energy: -2.153 local terms energy: -326.913477 where: bonds (distance) C4'-P energy: -59.926 bonds (distance) P-C4' energy: -58.317 flat angles C4'-P-C4' energy: -68.255 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -96.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1037.092142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.092142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.092142 (E_RNA) where: Base-Base interactions energy: -712.834 where: short stacking energy: -325.233 Base-Backbone interact. energy: -0.382 local terms energy: -323.876273 where: bonds (distance) C4'-P energy: -57.556 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -73.560 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: -84.042 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: 278 Temperature: 1.050000 Total energy: -960.355455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.355455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.355455 (E_RNA) where: Base-Base interactions energy: -642.725 where: short stacking energy: -299.904 Base-Backbone interact. energy: -0.514 local terms energy: -317.115921 where: bonds (distance) C4'-P energy: -57.768 bonds (distance) P-C4' energy: -69.726 flat angles C4'-P-C4' energy: -65.461 flat angles P-C4'-P energy: -37.709 tors. eta vs tors. theta energy: -86.452 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: 7 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -943.505880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.505880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.505880 (E_RNA) where: Base-Base interactions energy: -658.274 where: short stacking energy: -287.140 Base-Backbone interact. energy: -1.388 local terms energy: -283.844303 where: bonds (distance) C4'-P energy: -56.794 bonds (distance) P-C4' energy: -50.607 flat angles C4'-P-C4' energy: -57.939 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -72.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -934.647605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.647605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.647605 (E_RNA) where: Base-Base interactions energy: -633.807 where: short stacking energy: -284.609 Base-Backbone interact. energy: 4.473 local terms energy: -305.313820 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -59.073 flat angles P-C4'-P energy: -40.887 tors. eta vs tors. theta energy: -81.280 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: 278 Temperature: 1.200000 Total energy: -869.639376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.639376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.639376 (E_RNA) where: Base-Base interactions energy: -583.106 where: short stacking energy: -245.275 Base-Backbone interact. energy: -1.127 local terms energy: -285.406047 where: bonds (distance) C4'-P energy: -56.357 bonds (distance) P-C4' energy: -60.084 flat angles C4'-P-C4' energy: -66.299 flat angles P-C4'-P energy: -42.207 tors. eta vs tors. theta energy: -60.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -800.712984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.712984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.712984 (E_RNA) where: Base-Base interactions energy: -523.729 where: short stacking energy: -261.497 Base-Backbone interact. energy: -1.087 local terms energy: -275.897108 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -54.467 flat angles C4'-P-C4' energy: -60.775 flat angles P-C4'-P energy: -38.154 tors. eta vs tors. theta energy: -63.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -690.895126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.895126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.895126 (E_RNA) where: Base-Base interactions energy: -448.303 where: short stacking energy: -206.265 Base-Backbone interact. energy: 0.298 local terms energy: -242.889500 where: bonds (distance) C4'-P energy: -53.715 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -55.223 flat angles P-C4'-P energy: -34.442 tors. eta vs tors. theta energy: -35.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -632.019151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.019151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.019151 (E_RNA) where: Base-Base interactions energy: -415.563 where: short stacking energy: -167.709 Base-Backbone interact. energy: 0.078 local terms energy: -216.533894 where: bonds (distance) C4'-P energy: -48.737 bonds (distance) P-C4' energy: -55.724 flat angles C4'-P-C4' energy: -50.709 flat angles P-C4'-P energy: -34.055 tors. eta vs tors. theta energy: -27.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1163.347151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.347151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.347151 (E_RNA) where: Base-Base interactions energy: -811.651 where: short stacking energy: -356.350 Base-Backbone interact. energy: -2.185 local terms energy: -349.511363 where: bonds (distance) C4'-P energy: -57.253 bonds (distance) P-C4' energy: -67.554 flat angles C4'-P-C4' energy: -75.091 flat angles P-C4'-P energy: -52.011 tors. eta vs tors. theta energy: -97.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1117.891284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.891284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.891284 (E_RNA) where: Base-Base interactions energy: -779.499 where: short stacking energy: -336.293 Base-Backbone interact. energy: -3.654 local terms energy: -334.738022 where: bonds (distance) C4'-P energy: -52.435 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -78.479 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -93.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1031.577890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.577890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.577890 (E_RNA) where: Base-Base interactions energy: -718.790 where: short stacking energy: -322.386 Base-Backbone interact. energy: -0.090 local terms energy: -312.697873 where: bonds (distance) C4'-P energy: -53.129 bonds (distance) P-C4' energy: -61.355 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -90.654 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: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -964.061543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.061543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.061543 (E_RNA) where: Base-Base interactions energy: -642.949 where: short stacking energy: -288.535 Base-Backbone interact. energy: -0.841 local terms energy: -320.271755 where: bonds (distance) C4'-P energy: -55.926 bonds (distance) P-C4' energy: -59.487 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -84.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -964.713386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.713386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.713386 (E_RNA) where: Base-Base interactions energy: -646.595 where: short stacking energy: -304.035 Base-Backbone interact. energy: -1.233 local terms energy: -316.885985 where: bonds (distance) C4'-P energy: -56.073 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -63.401 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -90.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -937.976301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.976301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.976301 (E_RNA) where: Base-Base interactions energy: -629.279 where: short stacking energy: -291.303 Base-Backbone interact. energy: -1.270 local terms energy: -307.427336 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -67.238 flat angles P-C4'-P energy: -39.575 tors. eta vs tors. theta energy: -80.382 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -872.290092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.290092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.290092 (E_RNA) where: Base-Base interactions energy: -600.240 where: short stacking energy: -233.887 Base-Backbone interact. energy: 6.759 local terms energy: -278.808981 where: bonds (distance) C4'-P energy: -56.325 bonds (distance) P-C4' energy: -58.316 flat angles C4'-P-C4' energy: -59.583 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: -54.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -717.923540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.923540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.923540 (E_RNA) where: Base-Base interactions energy: -466.883 where: short stacking energy: -219.918 Base-Backbone interact. energy: 1.963 local terms energy: -253.003883 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -55.626 flat angles C4'-P-C4' energy: -64.940 flat angles P-C4'-P energy: -31.910 tors. eta vs tors. theta energy: -46.735 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: 279 Temperature: 1.300000 Total energy: -732.692511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.692511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.692511 (E_RNA) where: Base-Base interactions energy: -474.682 where: short stacking energy: -220.838 Base-Backbone interact. energy: -1.029 local terms energy: -256.982306 where: bonds (distance) C4'-P energy: -58.106 bonds (distance) P-C4' energy: -48.219 flat angles C4'-P-C4' energy: -55.084 flat angles P-C4'-P energy: -30.445 tors. eta vs tors. theta energy: -65.128 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: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -681.650300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.650300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.650300 (E_RNA) where: Base-Base interactions energy: -456.736 where: short stacking energy: -196.804 Base-Backbone interact. energy: -0.475 local terms energy: -224.439480 where: bonds (distance) C4'-P energy: -30.394 bonds (distance) P-C4' energy: -59.396 flat angles C4'-P-C4' energy: -50.970 flat angles P-C4'-P energy: -33.737 tors. eta vs tors. theta energy: -49.942 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: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1156.899541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.899541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.899541 (E_RNA) where: Base-Base interactions energy: -792.442 where: short stacking energy: -356.123 Base-Backbone interact. energy: -1.151 local terms energy: -363.305785 where: bonds (distance) C4'-P energy: -68.661 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -74.186 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: -94.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1112.851942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.851942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.851942 (E_RNA) where: Base-Base interactions energy: -794.228 where: short stacking energy: -332.191 Base-Backbone interact. energy: -3.494 local terms energy: -315.130205 where: bonds (distance) C4'-P energy: -60.488 bonds (distance) P-C4' energy: -65.065 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -39.371 tors. eta vs tors. theta energy: -85.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1043.728138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.728138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.728138 (E_RNA) where: Base-Base interactions energy: -714.533 where: short stacking energy: -322.507 Base-Backbone interact. energy: 0.816 local terms energy: -330.011614 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -50.300 tors. eta vs tors. theta energy: -85.702 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: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -944.210415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.210415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.210415 (E_RNA) where: Base-Base interactions energy: -653.502 where: short stacking energy: -292.212 Base-Backbone interact. energy: 0.181 local terms energy: -290.889839 where: bonds (distance) C4'-P energy: -51.002 bonds (distance) P-C4' energy: -62.807 flat angles C4'-P-C4' energy: -55.538 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -77.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -925.793160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.793160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.793160 (E_RNA) where: Base-Base interactions energy: -644.717 where: short stacking energy: -287.281 Base-Backbone interact. energy: -1.056 local terms energy: -280.020222 where: bonds (distance) C4'-P energy: -49.543 bonds (distance) P-C4' energy: -55.707 flat angles C4'-P-C4' energy: -62.578 flat angles P-C4'-P energy: -41.219 tors. eta vs tors. theta energy: -70.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -922.773091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.773091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.773091 (E_RNA) where: Base-Base interactions energy: -643.065 where: short stacking energy: -298.660 Base-Backbone interact. energy: 1.911 local terms energy: -281.618447 where: bonds (distance) C4'-P energy: -52.810 bonds (distance) P-C4' energy: -53.281 flat angles C4'-P-C4' energy: -58.428 flat angles P-C4'-P energy: -42.327 tors. eta vs tors. theta energy: -74.773 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: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -880.313193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.313193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.313193 (E_RNA) where: Base-Base interactions energy: -607.289 where: short stacking energy: -267.129 Base-Backbone interact. energy: 1.073 local terms energy: -274.097561 where: bonds (distance) C4'-P energy: -52.832 bonds (distance) P-C4' energy: -53.727 flat angles C4'-P-C4' energy: -61.254 flat angles P-C4'-P energy: -35.856 tors. eta vs tors. theta energy: -70.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -706.333315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.333315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.333315 (E_RNA) where: Base-Base interactions energy: -473.452 where: short stacking energy: -201.948 Base-Backbone interact. energy: 0.240 local terms energy: -233.121018 where: bonds (distance) C4'-P energy: -49.403 bonds (distance) P-C4' energy: -48.368 flat angles C4'-P-C4' energy: -56.481 flat angles P-C4'-P energy: -41.823 tors. eta vs tors. theta energy: -37.046 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: 280 Temperature: 1.300000 Total energy: -727.559865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.559865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.559865 (E_RNA) where: Base-Base interactions energy: -474.605 where: short stacking energy: -220.532 Base-Backbone interact. energy: 1.316 local terms energy: -254.271001 where: bonds (distance) C4'-P energy: -60.695 bonds (distance) P-C4' energy: -46.155 flat angles C4'-P-C4' energy: -54.918 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -50.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -709.231377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.231377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.231377 (E_RNA) where: Base-Base interactions energy: -479.889 where: short stacking energy: -208.914 Base-Backbone interact. energy: 0.921 local terms energy: -230.263155 where: bonds (distance) C4'-P energy: -51.803 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -49.611 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: -38.983 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: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1161.460128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.460128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.460128 (E_RNA) where: Base-Base interactions energy: -823.401 where: short stacking energy: -358.035 Base-Backbone interact. energy: -1.169 local terms energy: -336.890602 where: bonds (distance) C4'-P energy: -60.775 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -70.291 flat angles P-C4'-P energy: -48.961 tors. eta vs tors. theta energy: -96.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1123.668050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.668050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.668050 (E_RNA) where: Base-Base interactions energy: -794.823 where: short stacking energy: -330.945 Base-Backbone interact. energy: -0.719 local terms energy: -328.126349 where: bonds (distance) C4'-P energy: -62.652 bonds (distance) P-C4' energy: -58.964 flat angles C4'-P-C4' energy: -74.908 flat angles P-C4'-P energy: -39.731 tors. eta vs tors. theta energy: -91.871 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: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1049.034659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.034659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.034659 (E_RNA) where: Base-Base interactions energy: -723.220 where: short stacking energy: -328.233 Base-Backbone interact. energy: -0.435 local terms energy: -325.378812 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -63.150 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -87.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1005.224138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.224138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.224138 (E_RNA) where: Base-Base interactions energy: -698.281 where: short stacking energy: -303.813 Base-Backbone interact. energy: 0.254 local terms energy: -307.197181 where: bonds (distance) C4'-P energy: -47.906 bonds (distance) P-C4' energy: -65.331 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -48.186 tors. eta vs tors. theta energy: -78.128 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: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -909.994593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.994593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.994593 (E_RNA) where: Base-Base interactions energy: -610.402 where: short stacking energy: -275.811 Base-Backbone interact. energy: -0.458 local terms energy: -299.134338 where: bonds (distance) C4'-P energy: -62.171 bonds (distance) P-C4' energy: -56.903 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -74.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -898.963491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.963491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.963491 (E_RNA) where: Base-Base interactions energy: -624.577 where: short stacking energy: -267.868 Base-Backbone interact. energy: -2.128 local terms energy: -272.259356 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -59.252 flat angles P-C4'-P energy: -33.513 tors. eta vs tors. theta energy: -71.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -893.439308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.439308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.439308 (E_RNA) where: Base-Base interactions energy: -616.684 where: short stacking energy: -260.188 Base-Backbone interact. energy: -0.862 local terms energy: -275.893699 where: bonds (distance) C4'-P energy: -61.485 bonds (distance) P-C4' energy: -45.229 flat angles C4'-P-C4' energy: -59.665 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -66.944 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: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -747.371001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.371001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.371001 (E_RNA) where: Base-Base interactions energy: -480.780 where: short stacking energy: -228.968 Base-Backbone interact. energy: -0.060 local terms energy: -266.530849 where: bonds (distance) C4'-P energy: -55.540 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -59.229 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: -52.364 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: 281 Temperature: 1.300000 Total energy: -718.468198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.468198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.468198 (E_RNA) where: Base-Base interactions energy: -453.790 where: short stacking energy: -222.550 Base-Backbone interact. energy: -0.368 local terms energy: -264.310869 where: bonds (distance) C4'-P energy: -42.254 bonds (distance) P-C4' energy: -51.183 flat angles C4'-P-C4' energy: -68.219 flat angles P-C4'-P energy: -44.478 tors. eta vs tors. theta energy: -58.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -672.845924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.845924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.845924 (E_RNA) where: Base-Base interactions energy: -440.763 where: short stacking energy: -192.118 Base-Backbone interact. energy: 0.212 local terms energy: -232.294428 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -55.510 flat angles P-C4'-P energy: -30.400 tors. eta vs tors. theta energy: -34.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1146.683955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.683955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.683955 (E_RNA) where: Base-Base interactions energy: -798.545 where: short stacking energy: -341.555 Base-Backbone interact. energy: -2.378 local terms energy: -345.761402 where: bonds (distance) C4'-P energy: -67.892 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -75.624 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -93.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1125.262870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.262870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.262870 (E_RNA) where: Base-Base interactions energy: -780.182 where: short stacking energy: -330.362 Base-Backbone interact. energy: -1.999 local terms energy: -343.082681 where: bonds (distance) C4'-P energy: -62.829 bonds (distance) P-C4' energy: -70.575 flat angles C4'-P-C4' energy: -80.804 flat angles P-C4'-P energy: -32.918 tors. eta vs tors. theta energy: -95.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1041.011761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.011761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.011761 (E_RNA) where: Base-Base interactions energy: -702.319 where: short stacking energy: -328.603 Base-Backbone interact. energy: -0.433 local terms energy: -338.259891 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -58.972 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -45.280 tors. eta vs tors. theta energy: -98.686 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: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1021.876669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.876669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.876669 (E_RNA) where: Base-Base interactions energy: -701.347 where: short stacking energy: -317.663 Base-Backbone interact. energy: -0.591 local terms energy: -319.937907 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -64.747 flat angles P-C4'-P energy: -44.125 tors. eta vs tors. theta energy: -87.502 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: 282 Temperature: 1.100000 Total energy: -956.241587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.241587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.241587 (E_RNA) where: Base-Base interactions energy: -673.390 where: short stacking energy: -279.571 Base-Backbone interact. energy: 1.097 local terms energy: -283.948626 where: bonds (distance) C4'-P energy: -49.326 bonds (distance) P-C4' energy: -57.710 flat angles C4'-P-C4' energy: -62.080 flat angles P-C4'-P energy: -41.718 tors. eta vs tors. theta energy: -73.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -894.368144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.368144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.368144 (E_RNA) where: Base-Base interactions energy: -614.987 where: short stacking energy: -279.647 Base-Backbone interact. energy: -0.459 local terms energy: -278.922304 where: bonds (distance) C4'-P energy: -49.793 bonds (distance) P-C4' energy: -55.462 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -37.054 tors. eta vs tors. theta energy: -72.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -890.268418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.268418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.268418 (E_RNA) where: Base-Base interactions energy: -614.804 where: short stacking energy: -251.924 Base-Backbone interact. energy: -1.640 local terms energy: -273.823513 where: bonds (distance) C4'-P energy: -49.510 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -56.422 flat angles P-C4'-P energy: -34.293 tors. eta vs tors. theta energy: -66.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -726.383079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.383079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.383079 (E_RNA) where: Base-Base interactions energy: -483.664 where: short stacking energy: -226.893 Base-Backbone interact. energy: -0.650 local terms energy: -242.068891 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -61.316 flat angles P-C4'-P energy: -24.759 tors. eta vs tors. theta energy: -45.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -707.348496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.348496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.348496 (E_RNA) where: Base-Base interactions energy: -478.254 where: short stacking energy: -201.273 Base-Backbone interact. energy: -0.971 local terms energy: -228.123597 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -40.259 flat angles P-C4'-P energy: -24.611 tors. eta vs tors. theta energy: -45.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -628.211545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.211545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.211545 (E_RNA) where: Base-Base interactions energy: -403.933 where: short stacking energy: -184.219 Base-Backbone interact. energy: -1.628 local terms energy: -222.650118 where: bonds (distance) C4'-P energy: -54.099 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -47.186 flat angles P-C4'-P energy: -29.482 tors. eta vs tors. theta energy: -29.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1150.762936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.762936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.762936 (E_RNA) where: Base-Base interactions energy: -800.630 where: short stacking energy: -351.801 Base-Backbone interact. energy: -0.216 local terms energy: -349.917187 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -66.772 flat angles C4'-P-C4' energy: -74.050 flat angles P-C4'-P energy: -48.989 tors. eta vs tors. theta energy: -96.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1078.690832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.690832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.690832 (E_RNA) where: Base-Base interactions energy: -733.167 where: short stacking energy: -354.617 Base-Backbone interact. energy: -0.060 local terms energy: -345.464518 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -69.367 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -94.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1111.415813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.415813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.415813 (E_RNA) where: Base-Base interactions energy: -783.756 where: short stacking energy: -330.751 Base-Backbone interact. energy: 1.921 local terms energy: -329.580482 where: bonds (distance) C4'-P energy: -58.978 bonds (distance) P-C4' energy: -58.083 flat angles C4'-P-C4' energy: -71.788 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -99.729 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: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1015.535196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.535196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.535196 (E_RNA) where: Base-Base interactions energy: -687.144 where: short stacking energy: -321.300 Base-Backbone interact. energy: -0.705 local terms energy: -327.686642 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -65.680 flat angles C4'-P-C4' energy: -64.043 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -85.989 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: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -970.512615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.512615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.512615 (E_RNA) where: Base-Base interactions energy: -662.417 where: short stacking energy: -301.232 Base-Backbone interact. energy: 0.435 local terms energy: -308.530791 where: bonds (distance) C4'-P energy: -59.301 bonds (distance) P-C4' energy: -55.236 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -47.108 tors. eta vs tors. theta energy: -81.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -975.384801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.384801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.384801 (E_RNA) where: Base-Base interactions energy: -680.758 where: short stacking energy: -308.393 Base-Backbone interact. energy: -1.717 local terms energy: -292.909971 where: bonds (distance) C4'-P energy: -51.330 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -54.736 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -80.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -886.229736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.229736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.229736 (E_RNA) where: Base-Base interactions energy: -607.816 where: short stacking energy: -276.472 Base-Backbone interact. energy: -1.391 local terms energy: -277.022080 where: bonds (distance) C4'-P energy: -35.515 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -66.775 flat angles P-C4'-P energy: -42.303 tors. eta vs tors. theta energy: -74.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -699.704398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.704398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.704398 (E_RNA) where: Base-Base interactions energy: -475.083 where: short stacking energy: -202.440 Base-Backbone interact. energy: -0.131 local terms energy: -224.490141 where: bonds (distance) C4'-P energy: -58.359 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -37.569 flat angles P-C4'-P energy: -36.196 tors. eta vs tors. theta energy: -30.153 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: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -632.229378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.229378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.229378 (E_RNA) where: Base-Base interactions energy: -430.956 where: short stacking energy: -187.265 Base-Backbone interact. energy: -1.334 local terms energy: -199.939702 where: bonds (distance) C4'-P energy: -37.918 bonds (distance) P-C4' energy: -54.702 flat angles C4'-P-C4' energy: -59.836 flat angles P-C4'-P energy: -12.701 tors. eta vs tors. theta energy: -34.782 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: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -610.468369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.468369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.468369 (E_RNA) where: Base-Base interactions energy: -419.482 where: short stacking energy: -197.710 Base-Backbone interact. energy: -0.523 local terms energy: -190.463238 where: bonds (distance) C4'-P energy: -43.335 bonds (distance) P-C4' energy: -41.070 flat angles C4'-P-C4' energy: -52.629 flat angles P-C4'-P energy: -22.699 tors. eta vs tors. theta energy: -30.731 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: 284 Temperature: 0.900000 Total energy: -1131.351322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.351322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.351322 (E_RNA) where: Base-Base interactions energy: -806.833 where: short stacking energy: -326.613 Base-Backbone interact. energy: -1.873 local terms energy: -322.644685 where: bonds (distance) C4'-P energy: -69.353 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -71.110 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: -88.497 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: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1089.048798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.048798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.048798 (E_RNA) where: Base-Base interactions energy: -746.086 where: short stacking energy: -345.179 Base-Backbone interact. energy: -1.650 local terms energy: -341.312742 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -68.544 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -102.167 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: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1086.251990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.251990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.251990 (E_RNA) where: Base-Base interactions energy: -759.920 where: short stacking energy: -326.642 Base-Backbone interact. energy: -3.396 local terms energy: -322.935731 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -38.217 tors. eta vs tors. theta energy: -91.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -981.204341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.204341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.204341 (E_RNA) where: Base-Base interactions energy: -665.949 where: short stacking energy: -298.746 Base-Backbone interact. energy: 0.774 local terms energy: -316.028993 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -62.517 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: -84.969 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: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -953.670267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.670267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.670267 (E_RNA) where: Base-Base interactions energy: -666.405 where: short stacking energy: -287.526 Base-Backbone interact. energy: -1.489 local terms energy: -285.775599 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -48.457 flat angles C4'-P-C4' energy: -64.966 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: -79.166 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: 284 Temperature: 1.150000 Total energy: -904.525427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.525427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.525427 (E_RNA) where: Base-Base interactions energy: -632.033 where: short stacking energy: -269.337 Base-Backbone interact. energy: -0.973 local terms energy: -271.519245 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -48.092 flat angles C4'-P-C4' energy: -67.315 flat angles P-C4'-P energy: -37.958 tors. eta vs tors. theta energy: -67.725 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: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -828.495447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.495447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.495447 (E_RNA) where: Base-Base interactions energy: -561.199 where: short stacking energy: -241.382 Base-Backbone interact. energy: -1.176 local terms energy: -266.121076 where: bonds (distance) C4'-P energy: -50.491 bonds (distance) P-C4' energy: -58.887 flat angles C4'-P-C4' energy: -59.137 flat angles P-C4'-P energy: -41.596 tors. eta vs tors. theta energy: -56.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -696.071228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.071228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.071228 (E_RNA) where: Base-Base interactions energy: -464.802 where: short stacking energy: -222.972 Base-Backbone interact. energy: -1.078 local terms energy: -230.191233 where: bonds (distance) C4'-P energy: -42.529 bonds (distance) P-C4' energy: -52.194 flat angles C4'-P-C4' energy: -52.174 flat angles P-C4'-P energy: -32.701 tors. eta vs tors. theta energy: -50.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -690.463918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.463918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.463918 (E_RNA) where: Base-Base interactions energy: -454.665 where: short stacking energy: -176.183 Base-Backbone interact. energy: -0.378 local terms energy: -235.420544 where: bonds (distance) C4'-P energy: -54.441 bonds (distance) P-C4' energy: -52.291 flat angles C4'-P-C4' energy: -53.235 flat angles P-C4'-P energy: -37.407 tors. eta vs tors. theta energy: -38.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -540.011890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.011890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.011890 (E_RNA) where: Base-Base interactions energy: -327.690 where: short stacking energy: -163.760 Base-Backbone interact. energy: -1.562 local terms energy: -210.759524 where: bonds (distance) C4'-P energy: -45.958 bonds (distance) P-C4' energy: -49.845 flat angles C4'-P-C4' energy: -53.809 flat angles P-C4'-P energy: -32.130 tors. eta vs tors. theta energy: -29.016 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: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1142.107213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.107213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.107213 (E_RNA) where: Base-Base interactions energy: -815.871 where: short stacking energy: -344.823 Base-Backbone interact. energy: -4.018 local terms energy: -322.218222 where: bonds (distance) C4'-P energy: -63.601 bonds (distance) P-C4' energy: -62.422 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -40.139 tors. eta vs tors. theta energy: -84.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1106.692800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.692800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.692800 (E_RNA) where: Base-Base interactions energy: -763.127 where: short stacking energy: -338.879 Base-Backbone interact. energy: -0.323 local terms energy: -343.242973 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -63.366 flat angles C4'-P-C4' energy: -75.596 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -99.034 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: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1103.350073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.350073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.350073 (E_RNA) where: Base-Base interactions energy: -770.163 where: short stacking energy: -330.432 Base-Backbone interact. energy: 0.241 local terms energy: -333.427847 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -60.965 flat angles C4'-P-C4' energy: -75.930 flat angles P-C4'-P energy: -42.156 tors. eta vs tors. theta energy: -91.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -977.184122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.184122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.184122 (E_RNA) where: Base-Base interactions energy: -673.193 where: short stacking energy: -285.059 Base-Backbone interact. energy: 6.789 local terms energy: -310.779841 where: bonds (distance) C4'-P energy: -64.011 bonds (distance) P-C4' energy: -64.078 flat angles C4'-P-C4' energy: -62.525 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -73.732 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: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -955.421950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.421950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.421950 (E_RNA) where: Base-Base interactions energy: -665.140 where: short stacking energy: -282.920 Base-Backbone interact. energy: -0.625 local terms energy: -289.657290 where: bonds (distance) C4'-P energy: -54.438 bonds (distance) P-C4' energy: -60.105 flat angles C4'-P-C4' energy: -65.851 flat angles P-C4'-P energy: -35.515 tors. eta vs tors. theta energy: -73.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -831.852321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.852321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.852321 (E_RNA) where: Base-Base interactions energy: -563.196 where: short stacking energy: -241.384 Base-Backbone interact. energy: -0.658 local terms energy: -267.998366 where: bonds (distance) C4'-P energy: -62.507 bonds (distance) P-C4' energy: -45.108 flat angles C4'-P-C4' energy: -58.127 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -59.231 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: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -882.510639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.510639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.510639 (E_RNA) where: Base-Base interactions energy: -611.995 where: short stacking energy: -253.620 Base-Backbone interact. energy: 1.246 local terms energy: -271.762030 where: bonds (distance) C4'-P energy: -54.431 bonds (distance) P-C4' energy: -51.518 flat angles C4'-P-C4' energy: -70.292 flat angles P-C4'-P energy: -26.314 tors. eta vs tors. theta energy: -69.207 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: 285 Temperature: 1.250000 Total energy: -697.258887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.258887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.258887 (E_RNA) where: Base-Base interactions energy: -448.572 where: short stacking energy: -200.872 Base-Backbone interact. energy: 0.186 local terms energy: -248.873493 where: bonds (distance) C4'-P energy: -58.545 bonds (distance) P-C4' energy: -48.557 flat angles C4'-P-C4' energy: -54.417 flat angles P-C4'-P energy: -40.703 tors. eta vs tors. theta energy: -46.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -694.115835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.115835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.115835 (E_RNA) where: Base-Base interactions energy: -467.247 where: short stacking energy: -203.523 Base-Backbone interact. energy: -1.063 local terms energy: -225.806333 where: bonds (distance) C4'-P energy: -49.002 bonds (distance) P-C4' energy: -53.778 flat angles C4'-P-C4' energy: -50.777 flat angles P-C4'-P energy: -29.858 tors. eta vs tors. theta energy: -42.391 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: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -624.431968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.431968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.431968 (E_RNA) where: Base-Base interactions energy: -409.309 where: short stacking energy: -170.795 Base-Backbone interact. energy: -0.824 local terms energy: -214.298727 where: bonds (distance) C4'-P energy: -47.776 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -55.789 flat angles P-C4'-P energy: -26.460 tors. eta vs tors. theta energy: -23.517 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: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1126.228927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.228927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.228927 (E_RNA) where: Base-Base interactions energy: -773.768 where: short stacking energy: -345.419 Base-Backbone interact. energy: -0.844 local terms energy: -351.616822 where: bonds (distance) C4'-P energy: -69.147 bonds (distance) P-C4' energy: -57.118 flat angles C4'-P-C4' energy: -77.254 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -96.425 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: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1116.714061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.714061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.714061 (E_RNA) where: Base-Base interactions energy: -779.634 where: short stacking energy: -317.326 Base-Backbone interact. energy: -1.129 local terms energy: -335.951180 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -67.382 flat angles C4'-P-C4' energy: -68.308 flat angles P-C4'-P energy: -55.672 tors. eta vs tors. theta energy: -82.859 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: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1087.133088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.133088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.133088 (E_RNA) where: Base-Base interactions energy: -753.922 where: short stacking energy: -307.044 Base-Backbone interact. energy: -3.516 local terms energy: -329.695208 where: bonds (distance) C4'-P energy: -51.809 bonds (distance) P-C4' energy: -65.220 flat angles C4'-P-C4' energy: -71.433 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -96.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -969.829235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.829235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.829235 (E_RNA) where: Base-Base interactions energy: -671.976 where: short stacking energy: -297.518 Base-Backbone interact. energy: -0.489 local terms energy: -297.364139 where: bonds (distance) C4'-P energy: -56.061 bonds (distance) P-C4' energy: -58.142 flat angles C4'-P-C4' energy: -65.609 flat angles P-C4'-P energy: -36.556 tors. eta vs tors. theta energy: -80.996 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: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -972.589094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.589094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.589094 (E_RNA) where: Base-Base interactions energy: -664.126 where: short stacking energy: -299.334 Base-Backbone interact. energy: -1.646 local terms energy: -306.816696 where: bonds (distance) C4'-P energy: -61.017 bonds (distance) P-C4' energy: -54.582 flat angles C4'-P-C4' energy: -70.162 flat angles P-C4'-P energy: -37.546 tors. eta vs tors. theta energy: -83.510 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: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -833.906177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.906177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.906177 (E_RNA) where: Base-Base interactions energy: -563.209 where: short stacking energy: -241.915 Base-Backbone interact. energy: -1.578 local terms energy: -269.119231 where: bonds (distance) C4'-P energy: -55.145 bonds (distance) P-C4' energy: -58.351 flat angles C4'-P-C4' energy: -59.435 flat angles P-C4'-P energy: -37.442 tors. eta vs tors. theta energy: -58.746 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: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -930.096124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.096124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.096124 (E_RNA) where: Base-Base interactions energy: -628.234 where: short stacking energy: -287.316 Base-Backbone interact. energy: -0.085 local terms energy: -301.777695 where: bonds (distance) C4'-P energy: -57.837 bonds (distance) P-C4' energy: -60.103 flat angles C4'-P-C4' energy: -65.791 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -78.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -701.720752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.720752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.720752 (E_RNA) where: Base-Base interactions energy: -441.943 where: short stacking energy: -184.140 Base-Backbone interact. energy: -0.675 local terms energy: -259.102486 where: bonds (distance) C4'-P energy: -57.417 bonds (distance) P-C4' energy: -69.242 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -44.602 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: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -728.968195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.968195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.968195 (E_RNA) where: Base-Base interactions energy: -463.750 where: short stacking energy: -210.660 Base-Backbone interact. energy: -0.707 local terms energy: -264.511096 where: bonds (distance) C4'-P energy: -59.533 bonds (distance) P-C4' energy: -58.022 flat angles C4'-P-C4' energy: -67.672 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: -35.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -621.343944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.343944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.343944 (E_RNA) where: Base-Base interactions energy: -388.961 where: short stacking energy: -180.561 Base-Backbone interact. energy: -0.942 local terms energy: -231.440253 where: bonds (distance) C4'-P energy: -55.387 bonds (distance) P-C4' energy: -61.925 flat angles C4'-P-C4' energy: -50.066 flat angles P-C4'-P energy: -27.096 tors. eta vs tors. theta energy: -36.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1137.806817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.806817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.806817 (E_RNA) where: Base-Base interactions energy: -757.323 where: short stacking energy: -355.156 Base-Backbone interact. energy: -0.455 local terms energy: -380.028967 where: bonds (distance) C4'-P energy: -66.657 bonds (distance) P-C4' energy: -73.617 flat angles C4'-P-C4' energy: -79.132 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -103.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1139.478872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.478872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.478872 (E_RNA) where: Base-Base interactions energy: -802.465 where: short stacking energy: -329.965 Base-Backbone interact. energy: -0.795 local terms energy: -336.218501 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -74.375 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -90.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1094.691028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.691028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.691028 (E_RNA) where: Base-Base interactions energy: -763.012 where: short stacking energy: -331.408 Base-Backbone interact. energy: 0.461 local terms energy: -332.140948 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -60.718 flat angles C4'-P-C4' energy: -75.134 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: -93.201 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: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1018.488097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.488097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.488097 (E_RNA) where: Base-Base interactions energy: -693.407 where: short stacking energy: -301.695 Base-Backbone interact. energy: -1.123 local terms energy: -323.958002 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -54.972 flat angles C4'-P-C4' energy: -77.878 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -86.969 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: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -957.779934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.779934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.779934 (E_RNA) where: Base-Base interactions energy: -652.686 where: short stacking energy: -300.774 Base-Backbone interact. energy: 0.137 local terms energy: -305.230895 where: bonds (distance) C4'-P energy: -50.432 bonds (distance) P-C4' energy: -61.308 flat angles C4'-P-C4' energy: -76.032 flat angles P-C4'-P energy: -40.320 tors. eta vs tors. theta energy: -77.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -926.333758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.333758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.333758 (E_RNA) where: Base-Base interactions energy: -627.191 where: short stacking energy: -271.040 Base-Backbone interact. energy: -0.763 local terms energy: -298.380093 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -60.661 flat angles C4'-P-C4' energy: -63.884 flat angles P-C4'-P energy: -42.097 tors. eta vs tors. theta energy: -76.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -814.820366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.820366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.820366 (E_RNA) where: Base-Base interactions energy: -556.997 where: short stacking energy: -238.911 Base-Backbone interact. energy: 0.049 local terms energy: -257.872646 where: bonds (distance) C4'-P energy: -44.674 bonds (distance) P-C4' energy: -45.729 flat angles C4'-P-C4' energy: -66.032 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -55.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -718.509615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.509615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.509615 (E_RNA) where: Base-Base interactions energy: -478.144 where: short stacking energy: -212.906 Base-Backbone interact. energy: -0.754 local terms energy: -239.611502 where: bonds (distance) C4'-P energy: -51.971 bonds (distance) P-C4' energy: -52.702 flat angles C4'-P-C4' energy: -53.155 flat angles P-C4'-P energy: -36.411 tors. eta vs tors. theta energy: -45.373 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: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -701.960907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.960907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.960907 (E_RNA) where: Base-Base interactions energy: -471.023 where: short stacking energy: -197.057 Base-Backbone interact. energy: 0.294 local terms energy: -231.231374 where: bonds (distance) C4'-P energy: -49.140 bonds (distance) P-C4' energy: -64.847 flat angles C4'-P-C4' energy: -47.166 flat angles P-C4'-P energy: -16.292 tors. eta vs tors. theta energy: -53.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -567.000297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.000297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.000297 (E_RNA) where: Base-Base interactions energy: -375.224 where: short stacking energy: -174.542 Base-Backbone interact. energy: -1.027 local terms energy: -190.748884 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -50.815 flat angles C4'-P-C4' energy: -48.067 flat angles P-C4'-P energy: -14.099 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1136.022827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.022827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.022827 (E_RNA) where: Base-Base interactions energy: -787.054 where: short stacking energy: -343.502 Base-Backbone interact. energy: -3.556 local terms energy: -345.412942 where: bonds (distance) C4'-P energy: -60.477 bonds (distance) P-C4' energy: -69.201 flat angles C4'-P-C4' energy: -78.301 flat angles P-C4'-P energy: -43.470 tors. eta vs tors. theta energy: -93.964 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: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1105.284949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.284949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.284949 (E_RNA) where: Base-Base interactions energy: -763.994 where: short stacking energy: -351.419 Base-Backbone interact. energy: -0.810 local terms energy: -340.481123 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -67.450 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -103.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1099.901945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.901945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.901945 (E_RNA) where: Base-Base interactions energy: -755.762 where: short stacking energy: -332.625 Base-Backbone interact. energy: -3.054 local terms energy: -341.085651 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -66.250 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -52.330 tors. eta vs tors. theta energy: -91.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1014.491299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.491299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.491299 (E_RNA) where: Base-Base interactions energy: -698.853 where: short stacking energy: -320.872 Base-Backbone interact. energy: -0.853 local terms energy: -314.784799 where: bonds (distance) C4'-P energy: -58.659 bonds (distance) P-C4' energy: -64.222 flat angles C4'-P-C4' energy: -61.710 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -86.833 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: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -970.750384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.750384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.750384 (E_RNA) where: Base-Base interactions energy: -652.291 where: short stacking energy: -302.366 Base-Backbone interact. energy: -2.478 local terms energy: -315.980625 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -68.958 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -81.291 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -942.721363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.721363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.721363 (E_RNA) where: Base-Base interactions energy: -651.130 where: short stacking energy: -281.812 Base-Backbone interact. energy: 1.342 local terms energy: -292.933281 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -58.373 flat angles C4'-P-C4' energy: -52.938 flat angles P-C4'-P energy: -41.845 tors. eta vs tors. theta energy: -79.989 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: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -816.821268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.821268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.821268 (E_RNA) where: Base-Base interactions energy: -554.641 where: short stacking energy: -240.277 Base-Backbone interact. energy: -2.213 local terms energy: -259.967056 where: bonds (distance) C4'-P energy: -56.368 bonds (distance) P-C4' energy: -53.370 flat angles C4'-P-C4' energy: -64.109 flat angles P-C4'-P energy: -36.852 tors. eta vs tors. theta energy: -49.268 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: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -741.400594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.400594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.400594 (E_RNA) where: Base-Base interactions energy: -504.700 where: short stacking energy: -207.255 Base-Backbone interact. energy: 1.242 local terms energy: -237.942883 where: bonds (distance) C4'-P energy: -50.967 bonds (distance) P-C4' energy: -54.902 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -31.121 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -694.363812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.363812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.363812 (E_RNA) where: Base-Base interactions energy: -457.788 where: short stacking energy: -205.205 Base-Backbone interact. energy: -0.967 local terms energy: -235.608788 where: bonds (distance) C4'-P energy: -52.408 bonds (distance) P-C4' energy: -55.458 flat angles C4'-P-C4' energy: -49.219 flat angles P-C4'-P energy: -35.005 tors. eta vs tors. theta energy: -43.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -553.812501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.812501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.812501 (E_RNA) where: Base-Base interactions energy: -333.921 where: short stacking energy: -163.463 Base-Backbone interact. energy: -1.004 local terms energy: -218.887912 where: bonds (distance) C4'-P energy: -52.306 bonds (distance) P-C4' energy: -50.036 flat angles C4'-P-C4' energy: -52.881 flat angles P-C4'-P energy: -41.323 tors. eta vs tors. theta energy: -22.343 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: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1154.072787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.072787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.072787 (E_RNA) where: Base-Base interactions energy: -806.210 where: short stacking energy: -351.736 Base-Backbone interact. energy: -1.097 local terms energy: -346.766080 where: bonds (distance) C4'-P energy: -65.857 bonds (distance) P-C4' energy: -66.061 flat angles C4'-P-C4' energy: -71.247 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -96.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1128.314178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.314178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.314178 (E_RNA) where: Base-Base interactions energy: -792.618 where: short stacking energy: -332.217 Base-Backbone interact. energy: 0.722 local terms energy: -336.419122 where: bonds (distance) C4'-P energy: -64.932 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -49.396 tors. eta vs tors. theta energy: -92.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1071.840283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.840283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.840283 (E_RNA) where: Base-Base interactions energy: -755.008 where: short stacking energy: -341.172 Base-Backbone interact. energy: -0.297 local terms energy: -316.534730 where: bonds (distance) C4'-P energy: -53.769 bonds (distance) P-C4' energy: -57.837 flat angles C4'-P-C4' energy: -69.143 flat angles P-C4'-P energy: -40.262 tors. eta vs tors. theta energy: -95.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -994.103007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.103007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.103007 (E_RNA) where: Base-Base interactions energy: -669.217 where: short stacking energy: -315.454 Base-Backbone interact. energy: -3.186 local terms energy: -321.700149 where: bonds (distance) C4'-P energy: -54.716 bonds (distance) P-C4' energy: -72.118 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -50.083 tors. eta vs tors. theta energy: -84.320 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: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -975.559811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.559811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.559811 (E_RNA) where: Base-Base interactions energy: -676.846 where: short stacking energy: -304.311 Base-Backbone interact. energy: -0.651 local terms energy: -298.062494 where: bonds (distance) C4'-P energy: -50.099 bonds (distance) P-C4' energy: -54.615 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -41.099 tors. eta vs tors. theta energy: -77.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -911.991246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.991246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.991246 (E_RNA) where: Base-Base interactions energy: -617.297 where: short stacking energy: -264.164 Base-Backbone interact. energy: -1.654 local terms energy: -293.041122 where: bonds (distance) C4'-P energy: -60.137 bonds (distance) P-C4' energy: -56.339 flat angles C4'-P-C4' energy: -67.557 flat angles P-C4'-P energy: -36.892 tors. eta vs tors. theta energy: -72.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -780.246656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.246656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.246656 (E_RNA) where: Base-Base interactions energy: -516.361 where: short stacking energy: -226.434 Base-Backbone interact. energy: 1.266 local terms energy: -265.151325 where: bonds (distance) C4'-P energy: -48.779 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -66.963 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: -46.225 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: 289 Temperature: 1.250000 Total energy: -743.878347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.878347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.878347 (E_RNA) where: Base-Base interactions energy: -493.871 where: short stacking energy: -218.263 Base-Backbone interact. energy: -1.078 local terms energy: -248.928989 where: bonds (distance) C4'-P energy: -48.592 bonds (distance) P-C4' energy: -58.217 flat angles C4'-P-C4' energy: -55.980 flat angles P-C4'-P energy: -34.594 tors. eta vs tors. theta energy: -51.545 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: 289 Temperature: 1.300000 Total energy: -649.455957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.455957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.455957 (E_RNA) where: Base-Base interactions energy: -435.151 where: short stacking energy: -185.772 Base-Backbone interact. energy: 0.754 local terms energy: -215.059479 where: bonds (distance) C4'-P energy: -50.500 bonds (distance) P-C4' energy: -52.673 flat angles C4'-P-C4' energy: -54.225 flat angles P-C4'-P energy: -17.608 tors. eta vs tors. theta energy: -40.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -493.815843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.815843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.815843 (E_RNA) where: Base-Base interactions energy: -308.281 where: short stacking energy: -144.344 Base-Backbone interact. energy: 0.679 local terms energy: -186.214015 where: bonds (distance) C4'-P energy: -41.956 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -51.387 flat angles P-C4'-P energy: -18.409 tors. eta vs tors. theta energy: -16.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1146.011682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.011682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.011682 (E_RNA) where: Base-Base interactions energy: -814.963 where: short stacking energy: -353.411 Base-Backbone interact. energy: -3.611 local terms energy: -327.437651 where: bonds (distance) C4'-P energy: -60.176 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: -90.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1110.758701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.758701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.758701 (E_RNA) where: Base-Base interactions energy: -772.991 where: short stacking energy: -340.868 Base-Backbone interact. energy: -1.009 local terms energy: -336.758301 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -68.024 flat angles C4'-P-C4' energy: -75.014 flat angles P-C4'-P energy: -41.830 tors. eta vs tors. theta energy: -94.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1053.365971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.365971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.365971 (E_RNA) where: Base-Base interactions energy: -736.166 where: short stacking energy: -333.369 Base-Backbone interact. energy: 1.179 local terms energy: -318.378643 where: bonds (distance) C4'-P energy: -55.551 bonds (distance) P-C4' energy: -56.888 flat angles C4'-P-C4' energy: -60.432 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -94.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -990.688835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.688835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.688835 (E_RNA) where: Base-Base interactions energy: -683.439 where: short stacking energy: -312.026 Base-Backbone interact. energy: -1.178 local terms energy: -306.071782 where: bonds (distance) C4'-P energy: -44.831 bonds (distance) P-C4' energy: -61.990 flat angles C4'-P-C4' energy: -69.371 flat angles P-C4'-P energy: -35.876 tors. eta vs tors. theta energy: -94.004 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: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -915.021081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.021081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.021081 (E_RNA) where: Base-Base interactions energy: -635.650 where: short stacking energy: -272.856 Base-Backbone interact. energy: -1.278 local terms energy: -278.093443 where: bonds (distance) C4'-P energy: -56.922 bonds (distance) P-C4' energy: -51.899 flat angles C4'-P-C4' energy: -66.116 flat angles P-C4'-P energy: -34.581 tors. eta vs tors. theta energy: -68.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -935.495548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.495548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.495548 (E_RNA) where: Base-Base interactions energy: -642.205 where: short stacking energy: -276.243 Base-Backbone interact. energy: 3.072 local terms energy: -296.362246 where: bonds (distance) C4'-P energy: -50.617 bonds (distance) P-C4' energy: -54.341 flat angles C4'-P-C4' energy: -65.335 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -78.038 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: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -771.244870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.244870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.244870 (E_RNA) where: Base-Base interactions energy: -520.660 where: short stacking energy: -221.985 Base-Backbone interact. energy: 2.151 local terms energy: -252.736083 where: bonds (distance) C4'-P energy: -54.062 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -58.666 flat angles P-C4'-P energy: -31.380 tors. eta vs tors. theta energy: -41.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -753.252737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.252737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.252737 (E_RNA) where: Base-Base interactions energy: -486.483 where: short stacking energy: -203.006 Base-Backbone interact. energy: 3.315 local terms energy: -270.084799 where: bonds (distance) C4'-P energy: -53.052 bonds (distance) P-C4' energy: -66.745 flat angles C4'-P-C4' energy: -60.488 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: -52.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -618.096331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.096331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.096331 (E_RNA) where: Base-Base interactions energy: -366.017 where: short stacking energy: -174.150 Base-Backbone interact. energy: 0.778 local terms energy: -252.856812 where: bonds (distance) C4'-P energy: -62.796 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -63.232 flat angles P-C4'-P energy: -36.799 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: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -475.662336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.662336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.662336 (E_RNA) where: Base-Base interactions energy: -300.617 where: short stacking energy: -155.955 Base-Backbone interact. energy: 2.050 local terms energy: -177.095331 where: bonds (distance) C4'-P energy: -49.632 bonds (distance) P-C4' energy: -38.676 flat angles C4'-P-C4' energy: -46.124 flat angles P-C4'-P energy: -22.511 tors. eta vs tors. theta energy: -20.153 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: 291 Temperature: 0.900000 Total energy: -1143.619596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.619596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.619596 (E_RNA) where: Base-Base interactions energy: -804.262 where: short stacking energy: -340.119 Base-Backbone interact. energy: -1.533 local terms energy: -337.823862 where: bonds (distance) C4'-P energy: -61.416 bonds (distance) P-C4' energy: -61.408 flat angles C4'-P-C4' energy: -69.336 flat angles P-C4'-P energy: -55.021 tors. eta vs tors. theta energy: -90.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1121.772929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.772929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.772929 (E_RNA) where: Base-Base interactions energy: -780.529 where: short stacking energy: -340.148 Base-Backbone interact. energy: 0.090 local terms energy: -341.333403 where: bonds (distance) C4'-P energy: -54.372 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -78.407 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -93.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1075.148758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.148758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.148758 (E_RNA) where: Base-Base interactions energy: -733.116 where: short stacking energy: -331.034 Base-Backbone interact. energy: -0.961 local terms energy: -341.071067 where: bonds (distance) C4'-P energy: -52.731 bonds (distance) P-C4' energy: -57.498 flat angles C4'-P-C4' energy: -73.079 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -106.846 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: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -982.153513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.153513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.153513 (E_RNA) where: Base-Base interactions energy: -662.582 where: short stacking energy: -286.153 Base-Backbone interact. energy: -1.010 local terms energy: -318.561723 where: bonds (distance) C4'-P energy: -51.502 bonds (distance) P-C4' energy: -66.567 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -83.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -931.598309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.598309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.598309 (E_RNA) where: Base-Base interactions energy: -640.546 where: short stacking energy: -260.974 Base-Backbone interact. energy: -3.068 local terms energy: -287.984676 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -58.515 flat angles C4'-P-C4' energy: -56.130 flat angles P-C4'-P energy: -48.361 tors. eta vs tors. theta energy: -64.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -955.519034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.519034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.519034 (E_RNA) where: Base-Base interactions energy: -637.340 where: short stacking energy: -289.298 Base-Backbone interact. energy: -1.171 local terms energy: -317.007413 where: bonds (distance) C4'-P energy: -61.793 bonds (distance) P-C4' energy: -58.539 flat angles C4'-P-C4' energy: -74.238 flat angles P-C4'-P energy: -47.587 tors. eta vs tors. theta energy: -74.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -780.080654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.080654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.080654 (E_RNA) where: Base-Base interactions energy: -532.761 where: short stacking energy: -240.813 Base-Backbone interact. energy: -0.844 local terms energy: -246.476228 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -53.395 flat angles C4'-P-C4' energy: -53.086 flat angles P-C4'-P energy: -23.805 tors. eta vs tors. theta energy: -49.948 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: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -760.628306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.628306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.628306 (E_RNA) where: Base-Base interactions energy: -501.775 where: short stacking energy: -230.781 Base-Backbone interact. energy: -0.478 local terms energy: -258.375166 where: bonds (distance) C4'-P energy: -44.053 bonds (distance) P-C4' energy: -54.605 flat angles C4'-P-C4' energy: -58.823 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: -56.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -712.098478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.098478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.098478 (E_RNA) where: Base-Base interactions energy: -468.258 where: short stacking energy: -219.125 Base-Backbone interact. energy: 3.646 local terms energy: -247.486036 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -61.687 flat angles C4'-P-C4' energy: -52.756 flat angles P-C4'-P energy: -31.130 tors. eta vs tors. theta energy: -41.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -451.936722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.936722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.936722 (E_RNA) where: Base-Base interactions energy: -251.166 where: short stacking energy: -132.975 Base-Backbone interact. energy: 0.349 local terms energy: -201.119190 where: bonds (distance) C4'-P energy: -57.075 bonds (distance) P-C4' energy: -53.712 flat angles C4'-P-C4' energy: -47.421 flat angles P-C4'-P energy: -31.777 tors. eta vs tors. theta energy: -11.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1143.076249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.076249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.076249 (E_RNA) where: Base-Base interactions energy: -793.241 where: short stacking energy: -351.751 Base-Backbone interact. energy: -2.008 local terms energy: -347.827159 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -71.569 flat angles P-C4'-P energy: -46.052 tors. eta vs tors. theta energy: -100.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1106.144311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.144311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.144311 (E_RNA) where: Base-Base interactions energy: -773.248 where: short stacking energy: -325.626 Base-Backbone interact. energy: -0.256 local terms energy: -332.639553 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -54.309 flat angles C4'-P-C4' energy: -76.558 flat angles P-C4'-P energy: -47.943 tors. eta vs tors. theta energy: -85.827 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: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1094.939371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.939371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.939371 (E_RNA) where: Base-Base interactions energy: -750.029 where: short stacking energy: -337.491 Base-Backbone interact. energy: -0.427 local terms energy: -344.483141 where: bonds (distance) C4'-P energy: -52.160 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -80.130 flat angles P-C4'-P energy: -45.618 tors. eta vs tors. theta energy: -98.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1010.641382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.641382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.641382 (E_RNA) where: Base-Base interactions energy: -701.174 where: short stacking energy: -332.419 Base-Backbone interact. energy: -0.754 local terms energy: -308.713013 where: bonds (distance) C4'-P energy: -40.589 bonds (distance) P-C4' energy: -55.852 flat angles C4'-P-C4' energy: -71.952 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -90.592 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: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -917.470671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.470671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.470671 (E_RNA) where: Base-Base interactions energy: -647.309 where: short stacking energy: -260.629 Base-Backbone interact. energy: 7.933 local terms energy: -278.094872 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -60.109 flat angles C4'-P-C4' energy: -69.895 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -50.261 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: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -892.970045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.970045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.970045 (E_RNA) where: Base-Base interactions energy: -604.385 where: short stacking energy: -263.376 Base-Backbone interact. energy: -1.098 local terms energy: -287.487674 where: bonds (distance) C4'-P energy: -59.681 bonds (distance) P-C4' energy: -56.593 flat angles C4'-P-C4' energy: -63.635 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -62.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -797.275788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.275788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.275788 (E_RNA) where: Base-Base interactions energy: -520.024 where: short stacking energy: -239.780 Base-Backbone interact. energy: -1.991 local terms energy: -275.260960 where: bonds (distance) C4'-P energy: -57.064 bonds (distance) P-C4' energy: -50.993 flat angles C4'-P-C4' energy: -65.627 flat angles P-C4'-P energy: -30.542 tors. eta vs tors. theta energy: -71.036 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: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -773.080085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.080085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.080085 (E_RNA) where: Base-Base interactions energy: -511.807 where: short stacking energy: -229.122 Base-Backbone interact. energy: 1.220 local terms energy: -262.493098 where: bonds (distance) C4'-P energy: -49.355 bonds (distance) P-C4' energy: -62.824 flat angles C4'-P-C4' energy: -58.747 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -55.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -696.909251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.909251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.909251 (E_RNA) where: Base-Base interactions energy: -472.950 where: short stacking energy: -203.783 Base-Backbone interact. energy: -1.329 local terms energy: -222.629512 where: bonds (distance) C4'-P energy: -55.895 bonds (distance) P-C4' energy: -52.623 flat angles C4'-P-C4' energy: -51.449 flat angles P-C4'-P energy: -20.980 tors. eta vs tors. theta energy: -41.682 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: 292 Temperature: 1.350000 Total energy: -470.150998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.150998 (E_RNA) where: Base-Base interactions energy: -264.644 where: short stacking energy: -132.038 Base-Backbone interact. energy: -0.887 local terms energy: -204.620202 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -50.881 flat angles C4'-P-C4' energy: -51.949 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1137.786189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.786189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.786189 (E_RNA) where: Base-Base interactions energy: -790.984 where: short stacking energy: -327.542 Base-Backbone interact. energy: -3.972 local terms energy: -342.830340 where: bonds (distance) C4'-P energy: -54.218 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -72.761 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -90.427 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: 293 Temperature: 0.950000 Total energy: -1131.910492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.910492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.910492 (E_RNA) where: Base-Base interactions energy: -804.872 where: short stacking energy: -330.923 Base-Backbone interact. energy: -0.783 local terms energy: -326.254738 where: bonds (distance) C4'-P energy: -62.512 bonds (distance) P-C4' energy: -53.115 flat angles C4'-P-C4' energy: -61.557 flat angles P-C4'-P energy: -55.204 tors. eta vs tors. theta energy: -93.867 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: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1052.059257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.059257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.059257 (E_RNA) where: Base-Base interactions energy: -727.941 where: short stacking energy: -319.910 Base-Backbone interact. energy: -1.187 local terms energy: -322.930661 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -60.971 flat angles P-C4'-P energy: -41.127 tors. eta vs tors. theta energy: -90.967 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: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1007.461044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.461044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.461044 (E_RNA) where: Base-Base interactions energy: -705.742 where: short stacking energy: -322.474 Base-Backbone interact. energy: -0.545 local terms energy: -301.174365 where: bonds (distance) C4'-P energy: -55.900 bonds (distance) P-C4' energy: -48.619 flat angles C4'-P-C4' energy: -63.082 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -89.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -930.813857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.813857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.813857 (E_RNA) where: Base-Base interactions energy: -646.439 where: short stacking energy: -266.435 Base-Backbone interact. energy: 1.602 local terms energy: -285.976403 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -58.933 flat angles C4'-P-C4' energy: -61.927 flat angles P-C4'-P energy: -37.001 tors. eta vs tors. theta energy: -67.574 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: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -907.830069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.830069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.830069 (E_RNA) where: Base-Base interactions energy: -616.223 where: short stacking energy: -263.408 Base-Backbone interact. energy: -0.686 local terms energy: -290.921397 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -58.858 flat angles C4'-P-C4' energy: -63.570 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -72.208 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: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -817.102369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.102369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.102369 (E_RNA) where: Base-Base interactions energy: -560.186 where: short stacking energy: -246.185 Base-Backbone interact. energy: 0.116 local terms energy: -257.032722 where: bonds (distance) C4'-P energy: -49.927 bonds (distance) P-C4' energy: -50.761 flat angles C4'-P-C4' energy: -53.829 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: -56.720 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: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -724.407595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.407595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.407595 (E_RNA) where: Base-Base interactions energy: -471.652 where: short stacking energy: -196.644 Base-Backbone interact. energy: -2.066 local terms energy: -250.689344 where: bonds (distance) C4'-P energy: -58.761 bonds (distance) P-C4' energy: -52.128 flat angles C4'-P-C4' energy: -57.771 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -45.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -649.063238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.063238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.063238 (E_RNA) where: Base-Base interactions energy: -435.251 where: short stacking energy: -180.316 Base-Backbone interact. energy: -1.551 local terms energy: -212.261924 where: bonds (distance) C4'-P energy: -43.323 bonds (distance) P-C4' energy: -51.967 flat angles C4'-P-C4' energy: -57.908 flat angles P-C4'-P energy: -23.753 tors. eta vs tors. theta energy: -35.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -477.821490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.821490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.821490 (E_RNA) where: Base-Base interactions energy: -271.551 where: short stacking energy: -129.042 Base-Backbone interact. energy: -0.343 local terms energy: -205.927507 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -48.998 flat angles C4'-P-C4' energy: -44.610 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -19.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1145.158283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.158283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.158283 (E_RNA) where: Base-Base interactions energy: -796.899 where: short stacking energy: -341.671 Base-Backbone interact. energy: -2.288 local terms energy: -345.970627 where: bonds (distance) C4'-P energy: -69.168 bonds (distance) P-C4' energy: -60.826 flat angles C4'-P-C4' energy: -76.192 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -93.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1122.129143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.129143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.129143 (E_RNA) where: Base-Base interactions energy: -794.493 where: short stacking energy: -336.290 Base-Backbone interact. energy: 0.636 local terms energy: -328.272727 where: bonds (distance) C4'-P energy: -51.266 bonds (distance) P-C4' energy: -70.488 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -95.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1057.131442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.131442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.131442 (E_RNA) where: Base-Base interactions energy: -719.722 where: short stacking energy: -333.092 Base-Backbone interact. energy: -0.213 local terms energy: -337.195645 where: bonds (distance) C4'-P energy: -61.195 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -73.304 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: -88.242 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: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -960.105536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.105536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.105536 (E_RNA) where: Base-Base interactions energy: -645.653 where: short stacking energy: -295.537 Base-Backbone interact. energy: -0.562 local terms energy: -313.890295 where: bonds (distance) C4'-P energy: -62.552 bonds (distance) P-C4' energy: -62.544 flat angles C4'-P-C4' energy: -64.601 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: -86.317 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: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -942.941118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.941118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.941118 (E_RNA) where: Base-Base interactions energy: -658.311 where: short stacking energy: -268.258 Base-Backbone interact. energy: -0.284 local terms energy: -284.345259 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -54.976 flat angles C4'-P-C4' energy: -56.909 flat angles P-C4'-P energy: -43.479 tors. eta vs tors. theta energy: -66.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -901.098153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.098153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.098153 (E_RNA) where: Base-Base interactions energy: -629.555 where: short stacking energy: -272.485 Base-Backbone interact. energy: 1.171 local terms energy: -272.714124 where: bonds (distance) C4'-P energy: -46.667 bonds (distance) P-C4' energy: -53.483 flat angles C4'-P-C4' energy: -63.378 flat angles P-C4'-P energy: -37.674 tors. eta vs tors. theta energy: -71.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -826.469783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.469783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.469783 (E_RNA) where: Base-Base interactions energy: -564.115 where: short stacking energy: -242.728 Base-Backbone interact. energy: -1.594 local terms energy: -260.760663 where: bonds (distance) C4'-P energy: -48.112 bonds (distance) P-C4' energy: -51.112 flat angles C4'-P-C4' energy: -65.991 flat angles P-C4'-P energy: -36.979 tors. eta vs tors. theta energy: -58.566 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: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -758.489910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.489910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.489910 (E_RNA) where: Base-Base interactions energy: -497.382 where: short stacking energy: -221.643 Base-Backbone interact. energy: 0.818 local terms energy: -261.926193 where: bonds (distance) C4'-P energy: -60.518 bonds (distance) P-C4' energy: -55.396 flat angles C4'-P-C4' energy: -50.852 flat angles P-C4'-P energy: -39.018 tors. eta vs tors. theta energy: -56.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -645.572524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.572524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.572524 (E_RNA) where: Base-Base interactions energy: -434.651 where: short stacking energy: -183.969 Base-Backbone interact. energy: -1.303 local terms energy: -209.619062 where: bonds (distance) C4'-P energy: -52.922 bonds (distance) P-C4' energy: -53.837 flat angles C4'-P-C4' energy: -48.902 flat angles P-C4'-P energy: -24.546 tors. eta vs tors. theta energy: -29.412 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: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -433.097113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.097113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.097113 (E_RNA) where: Base-Base interactions energy: -270.546 where: short stacking energy: -138.460 Base-Backbone interact. energy: -1.106 local terms energy: -161.445376 where: bonds (distance) C4'-P energy: -48.465 bonds (distance) P-C4' energy: -55.768 flat angles C4'-P-C4' energy: -38.871 flat angles P-C4'-P energy: -16.143 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1151.059872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.059872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.059872 (E_RNA) where: Base-Base interactions energy: -799.277 where: short stacking energy: -339.175 Base-Backbone interact. energy: -0.194 local terms energy: -351.589196 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -70.789 flat angles C4'-P-C4' energy: -67.494 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -86.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1140.112457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.112457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.112457 (E_RNA) where: Base-Base interactions energy: -781.986 where: short stacking energy: -334.966 Base-Backbone interact. energy: -0.884 local terms energy: -357.242026 where: bonds (distance) C4'-P energy: -64.540 bonds (distance) P-C4' energy: -63.390 flat angles C4'-P-C4' energy: -75.488 flat angles P-C4'-P energy: -50.863 tors. eta vs tors. theta energy: -102.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1056.095421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.095421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.095421 (E_RNA) where: Base-Base interactions energy: -737.270 where: short stacking energy: -344.580 Base-Backbone interact. energy: -0.335 local terms energy: -318.490925 where: bonds (distance) C4'-P energy: -47.582 bonds (distance) P-C4' energy: -55.232 flat angles C4'-P-C4' energy: -72.820 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: -95.965 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: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -955.582165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.582165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.582165 (E_RNA) where: Base-Base interactions energy: -633.497 where: short stacking energy: -303.847 Base-Backbone interact. energy: 0.835 local terms energy: -322.920309 where: bonds (distance) C4'-P energy: -59.517 bonds (distance) P-C4' energy: -61.539 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -82.400 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: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -935.417806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.417806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.417806 (E_RNA) where: Base-Base interactions energy: -657.567 where: short stacking energy: -280.159 Base-Backbone interact. energy: 5.570 local terms energy: -283.420975 where: bonds (distance) C4'-P energy: -56.452 bonds (distance) P-C4' energy: -56.654 flat angles C4'-P-C4' energy: -56.329 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -73.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -918.583762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.583762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.583762 (E_RNA) where: Base-Base interactions energy: -623.978 where: short stacking energy: -284.546 Base-Backbone interact. energy: -1.595 local terms energy: -293.010341 where: bonds (distance) C4'-P energy: -49.185 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -72.311 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -74.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -832.911858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.911858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.911858 (E_RNA) where: Base-Base interactions energy: -557.027 where: short stacking energy: -246.820 Base-Backbone interact. energy: -0.668 local terms energy: -275.216691 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -56.381 flat angles C4'-P-C4' energy: -63.143 flat angles P-C4'-P energy: -27.542 tors. eta vs tors. theta energy: -65.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -784.703451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.703451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.703451 (E_RNA) where: Base-Base interactions energy: -520.829 where: short stacking energy: -239.429 Base-Backbone interact. energy: -0.750 local terms energy: -263.125274 where: bonds (distance) C4'-P energy: -65.155 bonds (distance) P-C4' energy: -44.114 flat angles C4'-P-C4' energy: -58.600 flat angles P-C4'-P energy: -34.427 tors. eta vs tors. theta energy: -60.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -643.821198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.821198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.821198 (E_RNA) where: Base-Base interactions energy: -397.456 where: short stacking energy: -197.111 Base-Backbone interact. energy: 0.214 local terms energy: -246.579114 where: bonds (distance) C4'-P energy: -56.371 bonds (distance) P-C4' energy: -56.582 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -24.364 tors. eta vs tors. theta energy: -44.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -457.819346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.819346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.819346 (E_RNA) where: Base-Base interactions energy: -273.822 where: short stacking energy: -121.586 Base-Backbone interact. energy: 1.722 local terms energy: -185.719672 where: bonds (distance) C4'-P energy: -42.118 bonds (distance) P-C4' energy: -42.299 flat angles C4'-P-C4' energy: -60.227 flat angles P-C4'-P energy: -30.373 tors. eta vs tors. theta energy: -10.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1149.750488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.750488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.750488 (E_RNA) where: Base-Base interactions energy: -787.045 where: short stacking energy: -343.262 Base-Backbone interact. energy: -0.088 local terms energy: -362.617246 where: bonds (distance) C4'-P energy: -73.115 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -45.528 tors. eta vs tors. theta energy: -95.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1128.590946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.590946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.590946 (E_RNA) where: Base-Base interactions energy: -800.781 where: short stacking energy: -342.229 Base-Backbone interact. energy: -0.459 local terms energy: -327.351545 where: bonds (distance) C4'-P energy: -64.471 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -89.713 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: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1053.020150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.020150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.020150 (E_RNA) where: Base-Base interactions energy: -721.001 where: short stacking energy: -340.789 Base-Backbone interact. energy: -0.429 local terms energy: -331.589827 where: bonds (distance) C4'-P energy: -59.252 bonds (distance) P-C4' energy: -64.378 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -43.679 tors. eta vs tors. theta energy: -95.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -980.843132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.843132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.843132 (E_RNA) where: Base-Base interactions energy: -662.779 where: short stacking energy: -308.309 Base-Backbone interact. energy: 0.817 local terms energy: -318.881151 where: bonds (distance) C4'-P energy: -65.480 bonds (distance) P-C4' energy: -59.730 flat angles C4'-P-C4' energy: -69.373 flat angles P-C4'-P energy: -47.773 tors. eta vs tors. theta energy: -76.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -951.316208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.316208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.316208 (E_RNA) where: Base-Base interactions energy: -651.875 where: short stacking energy: -250.403 Base-Backbone interact. energy: 4.125 local terms energy: -303.566661 where: bonds (distance) C4'-P energy: -66.610 bonds (distance) P-C4' energy: -71.659 flat angles C4'-P-C4' energy: -60.775 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -63.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -906.808132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.808132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.808132 (E_RNA) where: Base-Base interactions energy: -609.696 where: short stacking energy: -261.355 Base-Backbone interact. energy: 1.055 local terms energy: -298.167094 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -63.105 flat angles P-C4'-P energy: -37.367 tors. eta vs tors. theta energy: -64.924 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: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -816.439969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.439969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.439969 (E_RNA) where: Base-Base interactions energy: -539.717 where: short stacking energy: -241.570 Base-Backbone interact. energy: -0.079 local terms energy: -276.644246 where: bonds (distance) C4'-P energy: -67.830 bonds (distance) P-C4' energy: -57.178 flat angles C4'-P-C4' energy: -57.772 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: -59.924 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: 296 Temperature: 1.250000 Total energy: -765.341830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.341830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.341830 (E_RNA) where: Base-Base interactions energy: -523.059 where: short stacking energy: -222.298 Base-Backbone interact. energy: -0.783 local terms energy: -241.499871 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -51.047 flat angles P-C4'-P energy: -37.923 tors. eta vs tors. theta energy: -48.124 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: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -624.680285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.680285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.680285 (E_RNA) where: Base-Base interactions energy: -380.996 where: short stacking energy: -184.740 Base-Backbone interact. energy: -1.492 local terms energy: -242.192071 where: bonds (distance) C4'-P energy: -47.474 bonds (distance) P-C4' energy: -52.350 flat angles C4'-P-C4' energy: -60.546 flat angles P-C4'-P energy: -45.967 tors. eta vs tors. theta energy: -35.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -431.843242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.843242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.843242 (E_RNA) where: Base-Base interactions energy: -246.482 where: short stacking energy: -122.853 Base-Backbone interact. energy: -0.830 local terms energy: -184.531262 where: bonds (distance) C4'-P energy: -52.572 bonds (distance) P-C4' energy: -51.563 flat angles C4'-P-C4' energy: -52.349 flat angles P-C4'-P energy: -15.404 tors. eta vs tors. theta energy: -12.643 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: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1174.019092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.019092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.019092 (E_RNA) where: Base-Base interactions energy: -816.473 where: short stacking energy: -357.098 Base-Backbone interact. energy: -2.048 local terms energy: -355.497991 where: bonds (distance) C4'-P energy: -65.303 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -76.772 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -103.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1111.623668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.623668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.623668 (E_RNA) where: Base-Base interactions energy: -775.785 where: short stacking energy: -334.930 Base-Backbone interact. energy: -2.314 local terms energy: -333.525198 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -73.709 flat angles C4'-P-C4' energy: -68.763 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -88.701 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: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1063.413631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.413631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.413631 (E_RNA) where: Base-Base interactions energy: -727.096 where: short stacking energy: -340.691 Base-Backbone interact. energy: -0.941 local terms energy: -335.376340 where: bonds (distance) C4'-P energy: -60.937 bonds (distance) P-C4' energy: -58.058 flat angles C4'-P-C4' energy: -74.219 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -101.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -969.606630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.606630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.606630 (E_RNA) where: Base-Base interactions energy: -658.407 where: short stacking energy: -276.525 Base-Backbone interact. energy: -1.465 local terms energy: -309.735002 where: bonds (distance) C4'-P energy: -55.127 bonds (distance) P-C4' energy: -58.507 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -77.765 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: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -965.234989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.234989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.234989 (E_RNA) where: Base-Base interactions energy: -681.610 where: short stacking energy: -283.494 Base-Backbone interact. energy: 4.197 local terms energy: -287.822482 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -56.186 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -40.421 tors. eta vs tors. theta energy: -68.563 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: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -869.619871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.619871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.619871 (E_RNA) where: Base-Base interactions energy: -596.999 where: short stacking energy: -258.129 Base-Backbone interact. energy: 0.565 local terms energy: -273.185886 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -50.194 flat angles P-C4'-P energy: -37.029 tors. eta vs tors. theta energy: -61.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -838.018794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.018794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.018794 (E_RNA) where: Base-Base interactions energy: -560.740 where: short stacking energy: -267.003 Base-Backbone interact. energy: -1.214 local terms energy: -276.065216 where: bonds (distance) C4'-P energy: -47.485 bonds (distance) P-C4' energy: -57.284 flat angles C4'-P-C4' energy: -64.235 flat angles P-C4'-P energy: -39.147 tors. eta vs tors. theta energy: -67.914 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: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -723.439222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.439222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.439222 (E_RNA) where: Base-Base interactions energy: -507.281 where: short stacking energy: -216.260 Base-Backbone interact. energy: -0.480 local terms energy: -215.678325 where: bonds (distance) C4'-P energy: -54.270 bonds (distance) P-C4' energy: -44.312 flat angles C4'-P-C4' energy: -39.807 flat angles P-C4'-P energy: -29.164 tors. eta vs tors. theta energy: -48.126 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: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -755.594543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.594543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.594543 (E_RNA) where: Base-Base interactions energy: -516.115 where: short stacking energy: -236.808 Base-Backbone interact. energy: 0.402 local terms energy: -239.881594 where: bonds (distance) C4'-P energy: -49.201 bonds (distance) P-C4' energy: -50.037 flat angles C4'-P-C4' energy: -50.181 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: -49.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -533.483095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.483095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.483095 (E_RNA) where: Base-Base interactions energy: -334.619 where: short stacking energy: -131.097 Base-Backbone interact. energy: -2.762 local terms energy: -196.101413 where: bonds (distance) C4'-P energy: -54.730 bonds (distance) P-C4' energy: -43.988 flat angles C4'-P-C4' energy: -57.732 flat angles P-C4'-P energy: -28.416 tors. eta vs tors. theta energy: -11.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1156.098094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.098094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.098094 (E_RNA) where: Base-Base interactions energy: -820.258 where: short stacking energy: -351.104 Base-Backbone interact. energy: -2.491 local terms energy: -333.349082 where: bonds (distance) C4'-P energy: -59.760 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -70.477 flat angles P-C4'-P energy: -45.404 tors. eta vs tors. theta energy: -93.145 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: 298 Temperature: 0.950000 Total energy: -1124.047074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.047074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.047074 (E_RNA) where: Base-Base interactions energy: -799.287 where: short stacking energy: -338.636 Base-Backbone interact. energy: -0.920 local terms energy: -323.840130 where: bonds (distance) C4'-P energy: -54.265 bonds (distance) P-C4' energy: -62.844 flat angles C4'-P-C4' energy: -67.567 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -94.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1082.312915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.312915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.312915 (E_RNA) where: Base-Base interactions energy: -755.304 where: short stacking energy: -353.263 Base-Backbone interact. energy: 0.528 local terms energy: -327.537120 where: bonds (distance) C4'-P energy: -53.765 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -67.410 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: -93.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -961.191001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.191001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.191001 (E_RNA) where: Base-Base interactions energy: -645.254 where: short stacking energy: -293.748 Base-Backbone interact. energy: -0.506 local terms energy: -315.430746 where: bonds (distance) C4'-P energy: -60.632 bonds (distance) P-C4' energy: -55.151 flat angles C4'-P-C4' energy: -69.292 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -83.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -975.023904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.023904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.023904 (E_RNA) where: Base-Base interactions energy: -675.978 where: short stacking energy: -266.869 Base-Backbone interact. energy: 3.681 local terms energy: -302.726936 where: bonds (distance) C4'-P energy: -65.070 bonds (distance) P-C4' energy: -51.083 flat angles C4'-P-C4' energy: -62.435 flat angles P-C4'-P energy: -51.158 tors. eta vs tors. theta energy: -72.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -934.874704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.874704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.874704 (E_RNA) where: Base-Base interactions energy: -644.528 where: short stacking energy: -281.465 Base-Backbone interact. energy: 0.001 local terms energy: -290.347555 where: bonds (distance) C4'-P energy: -51.884 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -58.678 flat angles P-C4'-P energy: -42.428 tors. eta vs tors. theta energy: -77.634 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: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -829.969317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.969317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.969317 (E_RNA) where: Base-Base interactions energy: -548.727 where: short stacking energy: -254.801 Base-Backbone interact. energy: -1.662 local terms energy: -279.580238 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -48.464 flat angles C4'-P-C4' energy: -66.901 flat angles P-C4'-P energy: -33.261 tors. eta vs tors. theta energy: -73.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -743.026500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.026500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.026500 (E_RNA) where: Base-Base interactions energy: -485.503 where: short stacking energy: -228.507 Base-Backbone interact. energy: -0.050 local terms energy: -257.472719 where: bonds (distance) C4'-P energy: -49.537 bonds (distance) P-C4' energy: -59.256 flat angles C4'-P-C4' energy: -55.397 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -64.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -732.549373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.549373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.549373 (E_RNA) where: Base-Base interactions energy: -477.321 where: short stacking energy: -218.954 Base-Backbone interact. energy: -1.535 local terms energy: -253.693290 where: bonds (distance) C4'-P energy: -51.255 bonds (distance) P-C4' energy: -58.589 flat angles C4'-P-C4' energy: -47.018 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: -55.540 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: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -530.210266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.210266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.210266 (E_RNA) where: Base-Base interactions energy: -336.519 where: short stacking energy: -164.302 Base-Backbone interact. energy: -2.657 local terms energy: -191.034562 where: bonds (distance) C4'-P energy: -51.568 bonds (distance) P-C4' energy: -53.075 flat angles C4'-P-C4' energy: -46.087 flat angles P-C4'-P energy: -30.360 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1141.633713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.633713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.633713 (E_RNA) where: Base-Base interactions energy: -793.101 where: short stacking energy: -328.982 Base-Backbone interact. energy: -0.173 local terms energy: -348.359697 where: bonds (distance) C4'-P energy: -63.883 bonds (distance) P-C4' energy: -69.408 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -95.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1130.648170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.648170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.648170 (E_RNA) where: Base-Base interactions energy: -792.623 where: short stacking energy: -353.737 Base-Backbone interact. energy: -1.890 local terms energy: -336.135348 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -77.420 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -94.330 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: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1071.280400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.280400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.280400 (E_RNA) where: Base-Base interactions energy: -737.030 where: short stacking energy: -343.012 Base-Backbone interact. energy: -0.901 local terms energy: -333.349568 where: bonds (distance) C4'-P energy: -57.964 bonds (distance) P-C4' energy: -62.415 flat angles C4'-P-C4' energy: -70.209 flat angles P-C4'-P energy: -42.130 tors. eta vs tors. theta energy: -100.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -975.045155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.045155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.045155 (E_RNA) where: Base-Base interactions energy: -660.739 where: short stacking energy: -296.500 Base-Backbone interact. energy: -1.081 local terms energy: -313.225189 where: bonds (distance) C4'-P energy: -62.115 bonds (distance) P-C4' energy: -68.185 flat angles C4'-P-C4' energy: -65.583 flat angles P-C4'-P energy: -37.040 tors. eta vs tors. theta energy: -80.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -927.725940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.725940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.725940 (E_RNA) where: Base-Base interactions energy: -628.359 where: short stacking energy: -280.153 Base-Backbone interact. energy: -2.306 local terms energy: -297.061895 where: bonds (distance) C4'-P energy: -60.609 bonds (distance) P-C4' energy: -54.584 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -44.056 tors. eta vs tors. theta energy: -73.149 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: 1 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -941.185125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.185125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.185125 (E_RNA) where: Base-Base interactions energy: -650.399 where: short stacking energy: -308.163 Base-Backbone interact. energy: -1.178 local terms energy: -289.607581 where: bonds (distance) C4'-P energy: -48.878 bonds (distance) P-C4' energy: -59.598 flat angles C4'-P-C4' energy: -61.792 flat angles P-C4'-P energy: -34.589 tors. eta vs tors. theta energy: -84.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -793.724758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.724758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.724758 (E_RNA) where: Base-Base interactions energy: -550.435 where: short stacking energy: -255.722 Base-Backbone interact. energy: 2.214 local terms energy: -245.503745 where: bonds (distance) C4'-P energy: -45.440 bonds (distance) P-C4' energy: -52.261 flat angles C4'-P-C4' energy: -50.409 flat angles P-C4'-P energy: -33.618 tors. eta vs tors. theta energy: -63.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -751.062002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.062002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.062002 (E_RNA) where: Base-Base interactions energy: -511.637 where: short stacking energy: -212.792 Base-Backbone interact. energy: -1.175 local terms energy: -238.249825 where: bonds (distance) C4'-P energy: -43.268 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -52.609 flat angles P-C4'-P energy: -27.345 tors. eta vs tors. theta energy: -51.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -706.105171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.105171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.105171 (E_RNA) where: Base-Base interactions energy: -470.598 where: short stacking energy: -225.650 Base-Backbone interact. energy: 3.534 local terms energy: -239.041104 where: bonds (distance) C4'-P energy: -48.743 bonds (distance) P-C4' energy: -51.567 flat angles C4'-P-C4' energy: -48.552 flat angles P-C4'-P energy: -32.004 tors. eta vs tors. theta energy: -58.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -577.301811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.301811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.301811 (E_RNA) where: Base-Base interactions energy: -366.158 where: short stacking energy: -182.439 Base-Backbone interact. energy: -1.575 local terms energy: -209.569053 where: bonds (distance) C4'-P energy: -46.251 bonds (distance) P-C4' energy: -52.893 flat angles C4'-P-C4' energy: -55.833 flat angles P-C4'-P energy: -23.269 tors. eta vs tors. theta energy: -31.323 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: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1148.173376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.173376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.173376 (E_RNA) where: Base-Base interactions energy: -806.859 where: short stacking energy: -340.415 Base-Backbone interact. energy: -3.647 local terms energy: -337.666784 where: bonds (distance) C4'-P energy: -53.691 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -76.286 flat angles P-C4'-P energy: -41.613 tors. eta vs tors. theta energy: -94.616 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: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1134.181968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.181968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.181968 (E_RNA) where: Base-Base interactions energy: -790.256 where: short stacking energy: -350.518 Base-Backbone interact. energy: -0.758 local terms energy: -343.167518 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -46.777 tors. eta vs tors. theta energy: -96.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1071.164405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.164405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.164405 (E_RNA) where: Base-Base interactions energy: -732.907 where: short stacking energy: -337.720 Base-Backbone interact. energy: 0.452 local terms energy: -338.708767 where: bonds (distance) C4'-P energy: -62.767 bonds (distance) P-C4' energy: -70.066 flat angles C4'-P-C4' energy: -74.258 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -87.924 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: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -919.891101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.891101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.891101 (E_RNA) where: Base-Base interactions energy: -643.991 where: short stacking energy: -278.160 Base-Backbone interact. energy: -0.480 local terms energy: -275.419901 where: bonds (distance) C4'-P energy: -63.138 bonds (distance) P-C4' energy: -51.022 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -30.157 tors. eta vs tors. theta energy: -68.319 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: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -968.985124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.985124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.985124 (E_RNA) where: Base-Base interactions energy: -648.591 where: short stacking energy: -302.156 Base-Backbone interact. energy: -0.886 local terms energy: -319.508249 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -61.681 flat angles C4'-P-C4' energy: -65.105 flat angles P-C4'-P energy: -52.116 tors. eta vs tors. theta energy: -83.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -904.464941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.464941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.464941 (E_RNA) where: Base-Base interactions energy: -612.150 where: short stacking energy: -257.553 Base-Backbone interact. energy: -1.714 local terms energy: -290.601508 where: bonds (distance) C4'-P energy: -57.184 bonds (distance) P-C4' energy: -54.799 flat angles C4'-P-C4' energy: -66.743 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -68.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -772.205155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.205155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.205155 (E_RNA) where: Base-Base interactions energy: -505.782 where: short stacking energy: -240.444 Base-Backbone interact. energy: -0.100 local terms energy: -266.323624 where: bonds (distance) C4'-P energy: -57.975 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -58.378 flat angles P-C4'-P energy: -41.417 tors. eta vs tors. theta energy: -50.307 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: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -786.294852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.294852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.294852 (E_RNA) where: Base-Base interactions energy: -523.496 where: short stacking energy: -239.941 Base-Backbone interact. energy: -1.622 local terms energy: -261.176603 where: bonds (distance) C4'-P energy: -44.631 bonds (distance) P-C4' energy: -62.066 flat angles C4'-P-C4' energy: -51.432 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -60.938 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: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -708.381408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.381408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.381408 (E_RNA) where: Base-Base interactions energy: -475.305 where: short stacking energy: -230.507 Base-Backbone interact. energy: -0.563 local terms energy: -232.514120 where: bonds (distance) C4'-P energy: -49.782 bonds (distance) P-C4' energy: -49.568 flat angles C4'-P-C4' energy: -50.995 flat angles P-C4'-P energy: -28.859 tors. eta vs tors. theta energy: -53.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -621.917196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.917196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.917196 (E_RNA) where: Base-Base interactions energy: -395.304 where: short stacking energy: -161.831 Base-Backbone interact. energy: 1.552 local terms energy: -228.164927 where: bonds (distance) C4'-P energy: -50.152 bonds (distance) P-C4' energy: -58.615 flat angles C4'-P-C4' energy: -50.948 flat angles P-C4'-P energy: -34.468 tors. eta vs tors. theta energy: -33.981 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: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1148.376811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.376811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.376811 (E_RNA) where: Base-Base interactions energy: -792.013 where: short stacking energy: -341.393 Base-Backbone interact. energy: 1.248 local terms energy: -357.611780 where: bonds (distance) C4'-P energy: -71.965 bonds (distance) P-C4' energy: -73.829 flat angles C4'-P-C4' energy: -67.642 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -95.322 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: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1072.422966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.422966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.422966 (E_RNA) where: Base-Base interactions energy: -741.150 where: short stacking energy: -341.684 Base-Backbone interact. energy: -0.465 local terms energy: -330.808080 where: bonds (distance) C4'-P energy: -63.949 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -64.212 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: -96.646 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: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1120.488663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.488663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.488663 (E_RNA) where: Base-Base interactions energy: -781.065 where: short stacking energy: -329.847 Base-Backbone interact. energy: -1.285 local terms energy: -338.137917 where: bonds (distance) C4'-P energy: -64.101 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -70.759 flat angles P-C4'-P energy: -53.845 tors. eta vs tors. theta energy: -88.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -972.390451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.390451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.390451 (E_RNA) where: Base-Base interactions energy: -664.155 where: short stacking energy: -287.246 Base-Backbone interact. energy: -1.585 local terms energy: -306.650504 where: bonds (distance) C4'-P energy: -58.054 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -59.841 flat angles P-C4'-P energy: -43.129 tors. eta vs tors. theta energy: -75.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -980.612391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.612391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.612391 (E_RNA) where: Base-Base interactions energy: -660.243 where: short stacking energy: -309.861 Base-Backbone interact. energy: -0.054 local terms energy: -320.315565 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -71.414 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -79.348 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: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -912.535551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.535551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.535551 (E_RNA) where: Base-Base interactions energy: -628.102 where: short stacking energy: -261.279 Base-Backbone interact. energy: -1.549 local terms energy: -282.883840 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -59.958 flat angles C4'-P-C4' energy: -60.918 flat angles P-C4'-P energy: -30.254 tors. eta vs tors. theta energy: -73.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -773.341545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.341545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.341545 (E_RNA) where: Base-Base interactions energy: -506.985 where: short stacking energy: -245.838 Base-Backbone interact. energy: -0.947 local terms energy: -265.409200 where: bonds (distance) C4'-P energy: -45.010 bonds (distance) P-C4' energy: -62.235 flat angles C4'-P-C4' energy: -62.433 flat angles P-C4'-P energy: -41.178 tors. eta vs tors. theta energy: -54.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -732.485896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.485896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.485896 (E_RNA) where: Base-Base interactions energy: -481.078 where: short stacking energy: -244.896 Base-Backbone interact. energy: -1.059 local terms energy: -250.348443 where: bonds (distance) C4'-P energy: -54.485 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -52.184 flat angles P-C4'-P energy: -24.799 tors. eta vs tors. theta energy: -57.371 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: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -737.728133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.728133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.728133 (E_RNA) where: Base-Base interactions energy: -500.670 where: short stacking energy: -216.882 Base-Backbone interact. energy: -1.038 local terms energy: -236.020293 where: bonds (distance) C4'-P energy: -50.459 bonds (distance) P-C4' energy: -44.427 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -26.506 tors. eta vs tors. theta energy: -57.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -671.111171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.111171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.111171 (E_RNA) where: Base-Base interactions energy: -438.136 where: short stacking energy: -197.640 Base-Backbone interact. energy: -1.258 local terms energy: -231.717089 where: bonds (distance) C4'-P energy: -56.129 bonds (distance) P-C4' energy: -48.210 flat angles C4'-P-C4' energy: -46.254 flat angles P-C4'-P energy: -33.968 tors. eta vs tors. theta energy: -47.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1145.274269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.274269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.274269 (E_RNA) where: Base-Base interactions energy: -801.386 where: short stacking energy: -335.519 Base-Backbone interact. energy: -2.482 local terms energy: -341.405893 where: bonds (distance) C4'-P energy: -62.853 bonds (distance) P-C4' energy: -71.220 flat angles C4'-P-C4' energy: -69.549 flat angles P-C4'-P energy: -46.295 tors. eta vs tors. theta energy: -91.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1057.021277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.021277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.021277 (E_RNA) where: Base-Base interactions energy: -722.270 where: short stacking energy: -331.597 Base-Backbone interact. energy: -1.528 local terms energy: -333.223653 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -90.555 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: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1123.038372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.038372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.038372 (E_RNA) where: Base-Base interactions energy: -801.324 where: short stacking energy: -344.189 Base-Backbone interact. energy: 0.215 local terms energy: -321.929270 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -57.593 flat angles C4'-P-C4' energy: -75.631 flat angles P-C4'-P energy: -38.990 tors. eta vs tors. theta energy: -96.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -979.302587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.302587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.302587 (E_RNA) where: Base-Base interactions energy: -668.847 where: short stacking energy: -283.996 Base-Backbone interact. energy: -0.621 local terms energy: -309.834793 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -63.129 flat angles C4'-P-C4' energy: -66.151 flat angles P-C4'-P energy: -44.199 tors. eta vs tors. theta energy: -76.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -975.278090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.278090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.278090 (E_RNA) where: Base-Base interactions energy: -645.231 where: short stacking energy: -309.514 Base-Backbone interact. energy: -0.995 local terms energy: -329.051900 where: bonds (distance) C4'-P energy: -63.605 bonds (distance) P-C4' energy: -66.167 flat angles C4'-P-C4' energy: -70.571 flat angles P-C4'-P energy: -41.791 tors. eta vs tors. theta energy: -86.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -927.225915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.225915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.225915 (E_RNA) where: Base-Base interactions energy: -646.167 where: short stacking energy: -260.129 Base-Backbone interact. energy: -0.570 local terms energy: -280.489073 where: bonds (distance) C4'-P energy: -55.769 bonds (distance) P-C4' energy: -55.219 flat angles C4'-P-C4' energy: -54.049 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: -72.042 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: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -796.640122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.640122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.640122 (E_RNA) where: Base-Base interactions energy: -515.552 where: short stacking energy: -238.878 Base-Backbone interact. energy: -1.117 local terms energy: -279.971593 where: bonds (distance) C4'-P energy: -51.798 bonds (distance) P-C4' energy: -54.097 flat angles C4'-P-C4' energy: -69.260 flat angles P-C4'-P energy: -43.487 tors. eta vs tors. theta energy: -61.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -712.119268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.119268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.119268 (E_RNA) where: Base-Base interactions energy: -470.243 where: short stacking energy: -199.602 Base-Backbone interact. energy: -1.041 local terms energy: -240.835563 where: bonds (distance) C4'-P energy: -49.274 bonds (distance) P-C4' energy: -43.913 flat angles C4'-P-C4' energy: -56.461 flat angles P-C4'-P energy: -38.488 tors. eta vs tors. theta energy: -52.699 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: 9, replica: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -696.971167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.971167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.971167 (E_RNA) where: Base-Base interactions energy: -460.186 where: short stacking energy: -208.107 Base-Backbone interact. energy: 4.655 local terms energy: -241.439953 where: bonds (distance) C4'-P energy: -42.670 bonds (distance) P-C4' energy: -53.558 flat angles C4'-P-C4' energy: -60.596 flat angles P-C4'-P energy: -25.787 tors. eta vs tors. theta energy: -58.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -625.950830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.950830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.950830 (E_RNA) where: Base-Base interactions energy: -417.238 where: short stacking energy: -186.491 Base-Backbone interact. energy: -1.471 local terms energy: -207.242219 where: bonds (distance) C4'-P energy: -47.770 bonds (distance) P-C4' energy: -47.084 flat angles C4'-P-C4' energy: -45.861 flat angles P-C4'-P energy: -26.257 tors. eta vs tors. theta energy: -40.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1159.198339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.198339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.198339 (E_RNA) where: Base-Base interactions energy: -803.881 where: short stacking energy: -356.620 Base-Backbone interact. energy: -1.410 local terms energy: -353.907670 where: bonds (distance) C4'-P energy: -66.300 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -77.447 flat angles P-C4'-P energy: -42.447 tors. eta vs tors. theta energy: -99.506 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: 303 Temperature: 0.950000 Total energy: -1138.061773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.061773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.061773 (E_RNA) where: Base-Base interactions energy: -816.277 where: short stacking energy: -361.520 Base-Backbone interact. energy: -1.655 local terms energy: -320.129082 where: bonds (distance) C4'-P energy: -54.229 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -69.191 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -98.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1044.578613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.578613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.578613 (E_RNA) where: Base-Base interactions energy: -716.990 where: short stacking energy: -322.174 Base-Backbone interact. energy: -1.641 local terms energy: -325.947085 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -60.018 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -91.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -971.451304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.451304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.451304 (E_RNA) where: Base-Base interactions energy: -669.601 where: short stacking energy: -288.385 Base-Backbone interact. energy: -0.204 local terms energy: -301.646002 where: bonds (distance) C4'-P energy: -62.159 bonds (distance) P-C4' energy: -49.650 flat angles C4'-P-C4' energy: -75.748 flat angles P-C4'-P energy: -37.036 tors. eta vs tors. theta energy: -77.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -951.635269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.635269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.635269 (E_RNA) where: Base-Base interactions energy: -637.690 where: short stacking energy: -287.235 Base-Backbone interact. energy: -0.098 local terms energy: -313.847058 where: bonds (distance) C4'-P energy: -60.930 bonds (distance) P-C4' energy: -54.040 flat angles C4'-P-C4' energy: -71.230 flat angles P-C4'-P energy: -43.936 tors. eta vs tors. theta energy: -83.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -928.857698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.857698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.857698 (E_RNA) where: Base-Base interactions energy: -653.694 where: short stacking energy: -277.538 Base-Backbone interact. energy: 1.550 local terms energy: -276.713515 where: bonds (distance) C4'-P energy: -47.888 bonds (distance) P-C4' energy: -53.455 flat angles C4'-P-C4' energy: -63.209 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -69.440 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: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -760.806357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.806357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.806357 (E_RNA) where: Base-Base interactions energy: -509.235 where: short stacking energy: -227.043 Base-Backbone interact. energy: -0.377 local terms energy: -251.194361 where: bonds (distance) C4'-P energy: -60.166 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -41.982 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -51.151 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: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -753.666492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.666492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.666492 (E_RNA) where: Base-Base interactions energy: -495.153 where: short stacking energy: -231.028 Base-Backbone interact. energy: -1.060 local terms energy: -257.453117 where: bonds (distance) C4'-P energy: -50.245 bonds (distance) P-C4' energy: -46.854 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -39.846 tors. eta vs tors. theta energy: -64.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -704.968023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.968023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.968023 (E_RNA) where: Base-Base interactions energy: -457.169 where: short stacking energy: -203.086 Base-Backbone interact. energy: -1.265 local terms energy: -246.534365 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -54.996 flat angles C4'-P-C4' energy: -60.152 flat angles P-C4'-P energy: -28.603 tors. eta vs tors. theta energy: -44.833 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -627.046537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.046537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.046537 (E_RNA) where: Base-Base interactions energy: -431.808 where: short stacking energy: -179.791 Base-Backbone interact. energy: -0.617 local terms energy: -194.621758 where: bonds (distance) C4'-P energy: -41.834 bonds (distance) P-C4' energy: -45.660 flat angles C4'-P-C4' energy: -48.315 flat angles P-C4'-P energy: -24.179 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: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1178.200391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.200391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.200391 (E_RNA) where: Base-Base interactions energy: -822.862 where: short stacking energy: -363.976 Base-Backbone interact. energy: -0.440 local terms energy: -354.897491 where: bonds (distance) C4'-P energy: -69.699 bonds (distance) P-C4' energy: -68.461 flat angles C4'-P-C4' energy: -74.395 flat angles P-C4'-P energy: -42.104 tors. eta vs tors. theta energy: -100.239 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: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1125.954149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.954149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.954149 (E_RNA) where: Base-Base interactions energy: -796.772 where: short stacking energy: -347.139 Base-Backbone interact. energy: 1.650 local terms energy: -330.832326 where: bonds (distance) C4'-P energy: -70.773 bonds (distance) P-C4' energy: -51.239 flat angles C4'-P-C4' energy: -70.556 flat angles P-C4'-P energy: -53.224 tors. eta vs tors. theta energy: -85.041 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: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1056.344937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.344937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.344937 (E_RNA) where: Base-Base interactions energy: -720.307 where: short stacking energy: -327.361 Base-Backbone interact. energy: -1.144 local terms energy: -334.893703 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -62.854 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -91.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -991.991021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.991021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.991021 (E_RNA) where: Base-Base interactions energy: -686.243 where: short stacking energy: -297.877 Base-Backbone interact. energy: 1.334 local terms energy: -307.081689 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -53.818 flat angles C4'-P-C4' energy: -61.001 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -84.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -957.561193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.561193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.561193 (E_RNA) where: Base-Base interactions energy: -641.600 where: short stacking energy: -287.549 Base-Backbone interact. energy: -0.587 local terms energy: -315.373602 where: bonds (distance) C4'-P energy: -63.385 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -67.229 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: -77.383 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: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -928.988990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.988990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.988990 (E_RNA) where: Base-Base interactions energy: -653.849 where: short stacking energy: -267.994 Base-Backbone interact. energy: 2.070 local terms energy: -277.210023 where: bonds (distance) C4'-P energy: -50.208 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -57.740 flat angles P-C4'-P energy: -42.726 tors. eta vs tors. theta energy: -64.705 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: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -778.218756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.218756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.218756 (E_RNA) where: Base-Base interactions energy: -509.154 where: short stacking energy: -252.853 Base-Backbone interact. energy: -0.797 local terms energy: -268.267454 where: bonds (distance) C4'-P energy: -54.895 bonds (distance) P-C4' energy: -60.794 flat angles C4'-P-C4' energy: -65.828 flat angles P-C4'-P energy: -23.912 tors. eta vs tors. theta energy: -62.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -743.512945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.512945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.512945 (E_RNA) where: Base-Base interactions energy: -494.174 where: short stacking energy: -233.606 Base-Backbone interact. energy: -1.185 local terms energy: -248.154363 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -52.384 flat angles C4'-P-C4' energy: -60.306 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: -45.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -712.300342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.300342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.300342 (E_RNA) where: Base-Base interactions energy: -455.007 where: short stacking energy: -219.915 Base-Backbone interact. energy: -0.773 local terms energy: -256.520543 where: bonds (distance) C4'-P energy: -46.701 bonds (distance) P-C4' energy: -51.993 flat angles C4'-P-C4' energy: -55.156 flat angles P-C4'-P energy: -43.385 tors. eta vs tors. theta energy: -59.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -575.205237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.205237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.205237 (E_RNA) where: Base-Base interactions energy: -349.103 where: short stacking energy: -181.627 Base-Backbone interact. energy: -1.013 local terms energy: -225.089101 where: bonds (distance) C4'-P energy: -55.856 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -42.924 flat angles P-C4'-P energy: -29.026 tors. eta vs tors. theta energy: -34.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1149.016454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.016454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.016454 (E_RNA) where: Base-Base interactions energy: -817.683 where: short stacking energy: -344.370 Base-Backbone interact. energy: 4.085 local terms energy: -335.418387 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -59.219 flat angles C4'-P-C4' energy: -77.642 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -93.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1108.924699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.924699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.924699 (E_RNA) where: Base-Base interactions energy: -770.895 where: short stacking energy: -340.351 Base-Backbone interact. energy: -2.666 local terms energy: -335.363291 where: bonds (distance) C4'-P energy: -65.012 bonds (distance) P-C4' energy: -63.633 flat angles C4'-P-C4' energy: -72.171 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -90.057 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: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1051.201448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.201448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.201448 (E_RNA) where: Base-Base interactions energy: -719.115 where: short stacking energy: -318.118 Base-Backbone interact. energy: -1.214 local terms energy: -330.872364 where: bonds (distance) C4'-P energy: -55.877 bonds (distance) P-C4' energy: -68.467 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -51.522 tors. eta vs tors. theta energy: -89.857 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: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -986.910101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.910101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.910101 (E_RNA) where: Base-Base interactions energy: -670.132 where: short stacking energy: -310.475 Base-Backbone interact. energy: 1.737 local terms energy: -318.514587 where: bonds (distance) C4'-P energy: -55.434 bonds (distance) P-C4' energy: -66.276 flat angles C4'-P-C4' energy: -70.371 flat angles P-C4'-P energy: -44.816 tors. eta vs tors. theta energy: -81.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -955.948337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.948337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.948337 (E_RNA) where: Base-Base interactions energy: -628.602 where: short stacking energy: -296.047 Base-Backbone interact. energy: -1.774 local terms energy: -325.572553 where: bonds (distance) C4'-P energy: -62.245 bonds (distance) P-C4' energy: -69.781 flat angles C4'-P-C4' energy: -65.197 flat angles P-C4'-P energy: -44.817 tors. eta vs tors. theta energy: -83.532 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: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -930.876262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.876262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.876262 (E_RNA) where: Base-Base interactions energy: -648.089 where: short stacking energy: -272.403 Base-Backbone interact. energy: 1.895 local terms energy: -284.681892 where: bonds (distance) C4'-P energy: -58.111 bonds (distance) P-C4' energy: -51.470 flat angles C4'-P-C4' energy: -51.175 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -78.218 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: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -801.206161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.206161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.206161 (E_RNA) where: Base-Base interactions energy: -550.933 where: short stacking energy: -255.981 Base-Backbone interact. energy: -0.739 local terms energy: -249.533682 where: bonds (distance) C4'-P energy: -51.427 bonds (distance) P-C4' energy: -53.745 flat angles C4'-P-C4' energy: -48.555 flat angles P-C4'-P energy: -37.941 tors. eta vs tors. theta energy: -57.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -705.535533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.535533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.535533 (E_RNA) where: Base-Base interactions energy: -469.479 where: short stacking energy: -209.731 Base-Backbone interact. energy: -1.654 local terms energy: -234.402555 where: bonds (distance) C4'-P energy: -48.463 bonds (distance) P-C4' energy: -52.835 flat angles C4'-P-C4' energy: -51.029 flat angles P-C4'-P energy: -33.639 tors. eta vs tors. theta energy: -48.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -709.361192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.361192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.361192 (E_RNA) where: Base-Base interactions energy: -478.171 where: short stacking energy: -216.275 Base-Backbone interact. energy: -1.133 local terms energy: -230.056686 where: bonds (distance) C4'-P energy: -40.417 bonds (distance) P-C4' energy: -53.845 flat angles C4'-P-C4' energy: -52.904 flat angles P-C4'-P energy: -28.061 tors. eta vs tors. theta energy: -54.830 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -594.896308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.896308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.896308 (E_RNA) where: Base-Base interactions energy: -394.241 where: short stacking energy: -171.652 Base-Backbone interact. energy: 1.060 local terms energy: -201.714548 where: bonds (distance) C4'-P energy: -47.556 bonds (distance) P-C4' energy: -64.262 flat angles C4'-P-C4' energy: -39.894 flat angles P-C4'-P energy: -24.995 tors. eta vs tors. theta energy: -25.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1158.958479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.958479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.958479 (E_RNA) where: Base-Base interactions energy: -807.888 where: short stacking energy: -348.289 Base-Backbone interact. energy: -1.988 local terms energy: -349.082656 where: bonds (distance) C4'-P energy: -62.709 bonds (distance) P-C4' energy: -69.715 flat angles C4'-P-C4' energy: -78.910 flat angles P-C4'-P energy: -42.601 tors. eta vs tors. theta energy: -95.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1115.695293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.695293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.695293 (E_RNA) where: Base-Base interactions energy: -779.960 where: short stacking energy: -344.269 Base-Backbone interact. energy: 1.392 local terms energy: -337.126425 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -69.838 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -97.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1045.967422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.967422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.967422 (E_RNA) where: Base-Base interactions energy: -723.111 where: short stacking energy: -339.402 Base-Backbone interact. energy: 0.311 local terms energy: -323.168137 where: bonds (distance) C4'-P energy: -59.467 bonds (distance) P-C4' energy: -53.099 flat angles C4'-P-C4' energy: -71.515 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -91.905 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: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -960.147562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.147562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.147562 (E_RNA) where: Base-Base interactions energy: -660.241 where: short stacking energy: -291.579 Base-Backbone interact. energy: -0.548 local terms energy: -299.358699 where: bonds (distance) C4'-P energy: -56.159 bonds (distance) P-C4' energy: -59.528 flat angles C4'-P-C4' energy: -62.277 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -80.724 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: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -954.596859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.596859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.596859 (E_RNA) where: Base-Base interactions energy: -660.533 where: short stacking energy: -270.224 Base-Backbone interact. energy: -0.359 local terms energy: -293.705325 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -67.766 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -69.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -933.952342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.952342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.952342 (E_RNA) where: Base-Base interactions energy: -642.739 where: short stacking energy: -290.332 Base-Backbone interact. energy: -0.651 local terms energy: -290.562083 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -48.803 flat angles C4'-P-C4' energy: -62.377 flat angles P-C4'-P energy: -43.464 tors. eta vs tors. theta energy: -75.947 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: 306 Temperature: 1.200000 Total energy: -787.622573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.622573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.622573 (E_RNA) where: Base-Base interactions energy: -534.397 where: short stacking energy: -259.546 Base-Backbone interact. energy: 0.888 local terms energy: -254.113389 where: bonds (distance) C4'-P energy: -45.339 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -54.041 flat angles P-C4'-P energy: -43.227 tors. eta vs tors. theta energy: -49.638 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: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -679.138828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.138828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.138828 (E_RNA) where: Base-Base interactions energy: -434.797 where: short stacking energy: -207.026 Base-Backbone interact. energy: 0.850 local terms energy: -245.191441 where: bonds (distance) C4'-P energy: -55.597 bonds (distance) P-C4' energy: -49.645 flat angles C4'-P-C4' energy: -56.500 flat angles P-C4'-P energy: -42.603 tors. eta vs tors. theta energy: -40.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -693.632556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.632556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.632556 (E_RNA) where: Base-Base interactions energy: -472.086 where: short stacking energy: -196.815 Base-Backbone interact. energy: 1.216 local terms energy: -222.762874 where: bonds (distance) C4'-P energy: -44.259 bonds (distance) P-C4' energy: -52.705 flat angles C4'-P-C4' energy: -54.933 flat angles P-C4'-P energy: -26.027 tors. eta vs tors. theta energy: -44.840 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: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -592.520485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.520485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.520485 (E_RNA) where: Base-Base interactions energy: -373.286 where: short stacking energy: -171.860 Base-Backbone interact. energy: -0.635 local terms energy: -218.599850 where: bonds (distance) C4'-P energy: -43.056 bonds (distance) P-C4' energy: -56.599 flat angles C4'-P-C4' energy: -55.581 flat angles P-C4'-P energy: -33.479 tors. eta vs tors. theta energy: -29.884 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: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1173.957329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.957329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.957329 (E_RNA) where: Base-Base interactions energy: -817.102 where: short stacking energy: -348.161 Base-Backbone interact. energy: -1.976 local terms energy: -354.880185 where: bonds (distance) C4'-P energy: -65.798 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -72.935 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: -100.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1113.729286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.729286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.729286 (E_RNA) where: Base-Base interactions energy: -777.365 where: short stacking energy: -349.107 Base-Backbone interact. energy: -0.883 local terms energy: -335.481071 where: bonds (distance) C4'-P energy: -53.772 bonds (distance) P-C4' energy: -69.234 flat angles C4'-P-C4' energy: -69.269 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -96.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1041.535137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.535137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.535137 (E_RNA) where: Base-Base interactions energy: -714.797 where: short stacking energy: -322.694 Base-Backbone interact. energy: 0.416 local terms energy: -327.153650 where: bonds (distance) C4'-P energy: -60.824 bonds (distance) P-C4' energy: -61.607 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: -89.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -948.800135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.800135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.800135 (E_RNA) where: Base-Base interactions energy: -643.288 where: short stacking energy: -292.993 Base-Backbone interact. energy: -1.239 local terms energy: -304.272843 where: bonds (distance) C4'-P energy: -60.439 bonds (distance) P-C4' energy: -58.484 flat angles C4'-P-C4' energy: -71.387 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -71.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -974.303976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.303976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.303976 (E_RNA) where: Base-Base interactions energy: -683.901 where: short stacking energy: -287.219 Base-Backbone interact. energy: 0.099 local terms energy: -290.502594 where: bonds (distance) C4'-P energy: -62.529 bonds (distance) P-C4' energy: -46.557 flat angles C4'-P-C4' energy: -68.403 flat angles P-C4'-P energy: -38.035 tors. eta vs tors. theta energy: -74.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -928.127684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.127684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.127684 (E_RNA) where: Base-Base interactions energy: -614.412 where: short stacking energy: -285.460 Base-Backbone interact. energy: -1.488 local terms energy: -312.227536 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -56.970 flat angles C4'-P-C4' energy: -71.970 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -80.280 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: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -786.556918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.556918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.556918 (E_RNA) where: Base-Base interactions energy: -516.875 where: short stacking energy: -230.779 Base-Backbone interact. energy: -0.238 local terms energy: -269.444195 where: bonds (distance) C4'-P energy: -60.949 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -57.171 flat angles P-C4'-P energy: -40.438 tors. eta vs tors. theta energy: -55.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -708.009176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.009176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.009176 (E_RNA) where: Base-Base interactions energy: -464.027 where: short stacking energy: -211.292 Base-Backbone interact. energy: 0.760 local terms energy: -244.741969 where: bonds (distance) C4'-P energy: -49.657 bonds (distance) P-C4' energy: -58.949 flat angles C4'-P-C4' energy: -63.730 flat angles P-C4'-P energy: -33.460 tors. eta vs tors. theta energy: -38.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -665.587590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.587590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.587590 (E_RNA) where: Base-Base interactions energy: -444.010 where: short stacking energy: -197.190 Base-Backbone interact. energy: 1.941 local terms energy: -223.518789 where: bonds (distance) C4'-P energy: -51.386 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -58.399 flat angles P-C4'-P energy: -22.543 tors. eta vs tors. theta energy: -35.677 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: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -603.344140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.344140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.344140 (E_RNA) where: Base-Base interactions energy: -397.030 where: short stacking energy: -182.142 Base-Backbone interact. energy: -0.733 local terms energy: -205.581278 where: bonds (distance) C4'-P energy: -50.678 bonds (distance) P-C4' energy: -59.086 flat angles C4'-P-C4' energy: -42.523 flat angles P-C4'-P energy: -30.443 tors. eta vs tors. theta energy: -22.852 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: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1142.420249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.420249 (E_RNA) where: Base-Base interactions energy: -800.701 where: short stacking energy: -342.054 Base-Backbone interact. energy: 1.225 local terms energy: -342.943303 where: bonds (distance) C4'-P energy: -64.695 bonds (distance) P-C4' energy: -60.832 flat angles C4'-P-C4' energy: -72.596 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -101.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1129.408424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.408424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.408424 (E_RNA) where: Base-Base interactions energy: -781.436 where: short stacking energy: -327.642 Base-Backbone interact. energy: -1.520 local terms energy: -346.452497 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -66.957 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -47.844 tors. eta vs tors. theta energy: -97.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1057.654296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.654296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.654296 (E_RNA) where: Base-Base interactions energy: -718.548 where: short stacking energy: -324.905 Base-Backbone interact. energy: -1.886 local terms energy: -337.220050 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -69.088 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -92.613 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: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -992.165276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.165276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.165276 (E_RNA) where: Base-Base interactions energy: -676.054 where: short stacking energy: -304.653 Base-Backbone interact. energy: -1.989 local terms energy: -314.122571 where: bonds (distance) C4'-P energy: -63.534 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -66.890 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -82.045 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: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -968.821588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.821588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.821588 (E_RNA) where: Base-Base interactions energy: -660.338 where: short stacking energy: -266.315 Base-Backbone interact. energy: -1.659 local terms energy: -306.824537 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -66.595 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: -63.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -918.450311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.450311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.450311 (E_RNA) where: Base-Base interactions energy: -634.796 where: short stacking energy: -281.327 Base-Backbone interact. energy: -0.269 local terms energy: -283.384644 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -48.216 flat angles C4'-P-C4' energy: -70.200 flat angles P-C4'-P energy: -39.426 tors. eta vs tors. theta energy: -67.075 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: 308 Temperature: 1.200000 Total energy: -740.816386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.816386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.816386 (E_RNA) where: Base-Base interactions energy: -499.147 where: short stacking energy: -207.893 Base-Backbone interact. energy: 1.016 local terms energy: -242.685322 where: bonds (distance) C4'-P energy: -56.341 bonds (distance) P-C4' energy: -57.404 flat angles C4'-P-C4' energy: -59.022 flat angles P-C4'-P energy: -21.215 tors. eta vs tors. theta energy: -48.703 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: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -731.835720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.835720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.835720 (E_RNA) where: Base-Base interactions energy: -476.848 where: short stacking energy: -218.795 Base-Backbone interact. energy: -1.925 local terms energy: -253.062265 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -53.392 flat angles C4'-P-C4' energy: -53.396 flat angles P-C4'-P energy: -38.271 tors. eta vs tors. theta energy: -48.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -685.258757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.258757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.258757 (E_RNA) where: Base-Base interactions energy: -435.497 where: short stacking energy: -198.850 Base-Backbone interact. energy: -2.315 local terms energy: -247.446238 where: bonds (distance) C4'-P energy: -51.872 bonds (distance) P-C4' energy: -60.870 flat angles C4'-P-C4' energy: -58.840 flat angles P-C4'-P energy: -26.551 tors. eta vs tors. theta energy: -49.314 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: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -595.079825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.079825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.079825 (E_RNA) where: Base-Base interactions energy: -364.492 where: short stacking energy: -160.544 Base-Backbone interact. energy: -0.197 local terms energy: -230.390666 where: bonds (distance) C4'-P energy: -61.300 bonds (distance) P-C4' energy: -54.732 flat angles C4'-P-C4' energy: -56.150 flat angles P-C4'-P energy: -32.286 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: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1154.984334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.984334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.984334 (E_RNA) where: Base-Base interactions energy: -809.321 where: short stacking energy: -354.821 Base-Backbone interact. energy: -0.569 local terms energy: -345.094158 where: bonds (distance) C4'-P energy: -72.380 bonds (distance) P-C4' energy: -56.892 flat angles C4'-P-C4' energy: -67.162 flat angles P-C4'-P energy: -40.268 tors. eta vs tors. theta energy: -108.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1089.102144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.102144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.102144 (E_RNA) where: Base-Base interactions energy: -743.891 where: short stacking energy: -356.323 Base-Backbone interact. energy: -0.384 local terms energy: -344.826325 where: bonds (distance) C4'-P energy: -57.476 bonds (distance) P-C4' energy: -66.009 flat angles C4'-P-C4' energy: -76.677 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -99.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1106.312500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.312500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.312500 (E_RNA) where: Base-Base interactions energy: -770.690 where: short stacking energy: -328.970 Base-Backbone interact. energy: -2.250 local terms energy: -333.372473 where: bonds (distance) C4'-P energy: -55.282 bonds (distance) P-C4' energy: -51.055 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -101.801 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: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1029.183474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.183474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.183474 (E_RNA) where: Base-Base interactions energy: -719.685 where: short stacking energy: -298.665 Base-Backbone interact. energy: -0.764 local terms energy: -308.734157 where: bonds (distance) C4'-P energy: -57.255 bonds (distance) P-C4' energy: -58.533 flat angles C4'-P-C4' energy: -69.154 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -77.289 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: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -962.469104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.469104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.469104 (E_RNA) where: Base-Base interactions energy: -667.750 where: short stacking energy: -289.808 Base-Backbone interact. energy: -2.222 local terms energy: -292.496843 where: bonds (distance) C4'-P energy: -51.506 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -66.783 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -76.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -904.460949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.460949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.460949 (E_RNA) where: Base-Base interactions energy: -632.967 where: short stacking energy: -263.071 Base-Backbone interact. energy: -1.860 local terms energy: -269.634540 where: bonds (distance) C4'-P energy: -53.094 bonds (distance) P-C4' energy: -52.176 flat angles C4'-P-C4' energy: -56.809 flat angles P-C4'-P energy: -42.339 tors. eta vs tors. theta energy: -65.217 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: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -794.748586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.748586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.748586 (E_RNA) where: Base-Base interactions energy: -541.805 where: short stacking energy: -247.399 Base-Backbone interact. energy: 4.454 local terms energy: -257.397979 where: bonds (distance) C4'-P energy: -53.235 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -51.158 flat angles P-C4'-P energy: -30.465 tors. eta vs tors. theta energy: -58.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -726.046035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.046035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.046035 (E_RNA) where: Base-Base interactions energy: -475.693 where: short stacking energy: -225.950 Base-Backbone interact. energy: 0.643 local terms energy: -250.996249 where: bonds (distance) C4'-P energy: -44.140 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -63.776 flat angles P-C4'-P energy: -32.606 tors. eta vs tors. theta energy: -50.571 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: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -638.188974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.188974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.188974 (E_RNA) where: Base-Base interactions energy: -408.673 where: short stacking energy: -186.462 Base-Backbone interact. energy: 4.100 local terms energy: -233.615464 where: bonds (distance) C4'-P energy: -64.316 bonds (distance) P-C4' energy: -58.965 flat angles C4'-P-C4' energy: -45.798 flat angles P-C4'-P energy: -30.838 tors. eta vs tors. theta energy: -33.698 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: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -615.081082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.081082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.081082 (E_RNA) where: Base-Base interactions energy: -387.689 where: short stacking energy: -169.940 Base-Backbone interact. energy: -0.168 local terms energy: -227.224351 where: bonds (distance) C4'-P energy: -41.697 bonds (distance) P-C4' energy: -52.014 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -35.840 tors. eta vs tors. theta energy: -29.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1150.295752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.295752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.295752 (E_RNA) where: Base-Base interactions energy: -784.409 where: short stacking energy: -347.403 Base-Backbone interact. energy: -1.814 local terms energy: -364.073558 where: bonds (distance) C4'-P energy: -81.400 bonds (distance) P-C4' energy: -65.212 flat angles C4'-P-C4' energy: -75.013 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -95.590 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: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1079.054058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.054058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.054058 (E_RNA) where: Base-Base interactions energy: -737.858 where: short stacking energy: -338.351 Base-Backbone interact. energy: 1.350 local terms energy: -342.545916 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -59.753 flat angles C4'-P-C4' energy: -73.016 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: -101.207 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1102.024548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.024548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.024548 (E_RNA) where: Base-Base interactions energy: -765.194 where: short stacking energy: -333.168 Base-Backbone interact. energy: -1.489 local terms energy: -335.341057 where: bonds (distance) C4'-P energy: -53.815 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -70.979 flat angles P-C4'-P energy: -53.803 tors. eta vs tors. theta energy: -93.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1015.727099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.727099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.727099 (E_RNA) where: Base-Base interactions energy: -700.080 where: short stacking energy: -298.243 Base-Backbone interact. energy: 0.009 local terms energy: -315.655729 where: bonds (distance) C4'-P energy: -63.608 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -66.475 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -79.571 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: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -976.265410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.265410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.265410 (E_RNA) where: Base-Base interactions energy: -668.564 where: short stacking energy: -299.079 Base-Backbone interact. energy: 0.225 local terms energy: -307.926804 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -61.848 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -86.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -927.809185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.809185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.809185 (E_RNA) where: Base-Base interactions energy: -648.707 where: short stacking energy: -268.952 Base-Backbone interact. energy: -1.533 local terms energy: -277.569536 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -56.767 flat angles C4'-P-C4' energy: -53.512 flat angles P-C4'-P energy: -44.083 tors. eta vs tors. theta energy: -73.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -796.722411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.722411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.722411 (E_RNA) where: Base-Base interactions energy: -538.155 where: short stacking energy: -246.467 Base-Backbone interact. energy: -0.904 local terms energy: -257.662960 where: bonds (distance) C4'-P energy: -51.706 bonds (distance) P-C4' energy: -52.288 flat angles C4'-P-C4' energy: -58.482 flat angles P-C4'-P energy: -35.935 tors. eta vs tors. theta energy: -59.252 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: 310 Temperature: 1.250000 Total energy: -723.238761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.238761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.238761 (E_RNA) where: Base-Base interactions energy: -476.505 where: short stacking energy: -207.798 Base-Backbone interact. energy: -1.327 local terms energy: -245.406840 where: bonds (distance) C4'-P energy: -53.357 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -63.497 flat angles P-C4'-P energy: -26.285 tors. eta vs tors. theta energy: -42.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -643.747756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.747756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.747756 (E_RNA) where: Base-Base interactions energy: -414.189 where: short stacking energy: -190.148 Base-Backbone interact. energy: -1.777 local terms energy: -227.782095 where: bonds (distance) C4'-P energy: -59.180 bonds (distance) P-C4' energy: -55.668 flat angles C4'-P-C4' energy: -46.661 flat angles P-C4'-P energy: -26.216 tors. eta vs tors. theta energy: -40.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -601.226515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.226515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.226515 (E_RNA) where: Base-Base interactions energy: -395.063 where: short stacking energy: -197.877 Base-Backbone interact. energy: 0.009 local terms energy: -206.172215 where: bonds (distance) C4'-P energy: -44.114 bonds (distance) P-C4' energy: -27.279 flat angles C4'-P-C4' energy: -56.559 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -40.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1131.145614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.145614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.145614 (E_RNA) where: Base-Base interactions energy: -790.544 where: short stacking energy: -338.796 Base-Backbone interact. energy: 1.974 local terms energy: -342.575103 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -62.635 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -50.437 tors. eta vs tors. theta energy: -91.385 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: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1135.094300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.094300 (E_RNA) where: Base-Base interactions energy: -796.325 where: short stacking energy: -344.061 Base-Backbone interact. energy: -1.107 local terms energy: -337.662171 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -94.794 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: 3, replica: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1078.973426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.973426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.973426 (E_RNA) where: Base-Base interactions energy: -732.043 where: short stacking energy: -330.911 Base-Backbone interact. energy: -1.575 local terms energy: -345.355337 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -70.216 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -45.292 tors. eta vs tors. theta energy: -99.838 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: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -972.462844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.462844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.462844 (E_RNA) where: Base-Base interactions energy: -676.397 where: short stacking energy: -306.015 Base-Backbone interact. energy: -0.449 local terms energy: -295.616756 where: bonds (distance) C4'-P energy: -63.004 bonds (distance) P-C4' energy: -44.166 flat angles C4'-P-C4' energy: -62.660 flat angles P-C4'-P energy: -41.088 tors. eta vs tors. theta energy: -84.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -980.687167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.687167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.687167 (E_RNA) where: Base-Base interactions energy: -678.558 where: short stacking energy: -283.568 Base-Backbone interact. energy: -1.060 local terms energy: -301.069754 where: bonds (distance) C4'-P energy: -65.966 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -61.639 flat angles P-C4'-P energy: -40.118 tors. eta vs tors. theta energy: -73.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -926.805624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.805624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.805624 (E_RNA) where: Base-Base interactions energy: -657.217 where: short stacking energy: -271.094 Base-Backbone interact. energy: -1.233 local terms energy: -268.355680 where: bonds (distance) C4'-P energy: -56.077 bonds (distance) P-C4' energy: -54.254 flat angles C4'-P-C4' energy: -49.803 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -71.025 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: 311 Temperature: 1.200000 Total energy: -804.616709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.616709 (E_RNA) where: Base-Base interactions energy: -548.165 where: short stacking energy: -232.509 Base-Backbone interact. energy: -0.927 local terms energy: -255.524939 where: bonds (distance) C4'-P energy: -49.839 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -57.541 flat angles P-C4'-P energy: -32.657 tors. eta vs tors. theta energy: -49.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -698.812399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.812399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.812399 (E_RNA) where: Base-Base interactions energy: -448.030 where: short stacking energy: -192.311 Base-Backbone interact. energy: 1.392 local terms energy: -252.174161 where: bonds (distance) C4'-P energy: -53.566 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -56.146 flat angles P-C4'-P energy: -30.342 tors. eta vs tors. theta energy: -52.998 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: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -688.714856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.714856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.714856 (E_RNA) where: Base-Base interactions energy: -458.044 where: short stacking energy: -229.471 Base-Backbone interact. energy: 0.857 local terms energy: -231.527520 where: bonds (distance) C4'-P energy: -40.686 bonds (distance) P-C4' energy: -48.757 flat angles C4'-P-C4' energy: -57.931 flat angles P-C4'-P energy: -37.939 tors. eta vs tors. theta energy: -46.214 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: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -573.353623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.353623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.353623 (E_RNA) where: Base-Base interactions energy: -367.334 where: short stacking energy: -173.418 Base-Backbone interact. energy: -1.655 local terms energy: -204.365109 where: bonds (distance) C4'-P energy: -40.089 bonds (distance) P-C4' energy: -47.451 flat angles C4'-P-C4' energy: -59.605 flat angles P-C4'-P energy: -22.869 tors. eta vs tors. theta energy: -34.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1131.578562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.578562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.578562 (E_RNA) where: Base-Base interactions energy: -791.255 where: short stacking energy: -355.270 Base-Backbone interact. energy: -1.354 local terms energy: -338.969803 where: bonds (distance) C4'-P energy: -59.606 bonds (distance) P-C4' energy: -69.469 flat angles C4'-P-C4' energy: -62.770 flat angles P-C4'-P energy: -47.430 tors. eta vs tors. theta energy: -99.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1131.082176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.082176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.082176 (E_RNA) where: Base-Base interactions energy: -798.607 where: short stacking energy: -335.628 Base-Backbone interact. energy: 1.676 local terms energy: -334.151624 where: bonds (distance) C4'-P energy: -49.487 bonds (distance) P-C4' energy: -61.574 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -90.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1050.265544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.265544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.265544 (E_RNA) where: Base-Base interactions energy: -716.980 where: short stacking energy: -330.840 Base-Backbone interact. energy: -1.390 local terms energy: -331.894937 where: bonds (distance) C4'-P energy: -52.212 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -75.062 flat angles P-C4'-P energy: -42.985 tors. eta vs tors. theta energy: -98.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1004.946616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.946616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.946616 (E_RNA) where: Base-Base interactions energy: -700.591 where: short stacking energy: -339.158 Base-Backbone interact. energy: 7.210 local terms energy: -311.566461 where: bonds (distance) C4'-P energy: -54.268 bonds (distance) P-C4' energy: -55.190 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -45.574 tors. eta vs tors. theta energy: -91.989 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: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -954.985546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.985546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.985546 (E_RNA) where: Base-Base interactions energy: -692.030 where: short stacking energy: -268.077 Base-Backbone interact. energy: -1.112 local terms energy: -261.843410 where: bonds (distance) C4'-P energy: -54.010 bonds (distance) P-C4' energy: -42.947 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -33.362 tors. eta vs tors. theta energy: -64.559 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: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -920.288781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.288781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.288781 (E_RNA) where: Base-Base interactions energy: -635.271 where: short stacking energy: -275.247 Base-Backbone interact. energy: 0.262 local terms energy: -285.279786 where: bonds (distance) C4'-P energy: -50.573 bonds (distance) P-C4' energy: -58.600 flat angles C4'-P-C4' energy: -66.912 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -63.634 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: 312 Temperature: 1.200000 Total energy: -790.307617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.307617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.307617 (E_RNA) where: Base-Base interactions energy: -523.117 where: short stacking energy: -226.139 Base-Backbone interact. energy: 0.130 local terms energy: -267.320641 where: bonds (distance) C4'-P energy: -57.150 bonds (distance) P-C4' energy: -65.891 flat angles C4'-P-C4' energy: -57.776 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: -52.638 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: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -704.180932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.180932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.180932 (E_RNA) where: Base-Base interactions energy: -454.709 where: short stacking energy: -209.560 Base-Backbone interact. energy: 0.260 local terms energy: -249.732503 where: bonds (distance) C4'-P energy: -49.430 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -61.341 flat angles P-C4'-P energy: -28.251 tors. eta vs tors. theta energy: -51.579 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: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -673.691444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.691444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.691444 (E_RNA) where: Base-Base interactions energy: -434.011 where: short stacking energy: -197.049 Base-Backbone interact. energy: -2.247 local terms energy: -237.433657 where: bonds (distance) C4'-P energy: -63.049 bonds (distance) P-C4' energy: -53.081 flat angles C4'-P-C4' energy: -51.847 flat angles P-C4'-P energy: -33.571 tors. eta vs tors. theta energy: -35.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -576.560895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.560895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.560895 (E_RNA) where: Base-Base interactions energy: -372.582 where: short stacking energy: -166.313 Base-Backbone interact. energy: -0.454 local terms energy: -203.525558 where: bonds (distance) C4'-P energy: -24.524 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -46.783 flat angles P-C4'-P energy: -40.367 tors. eta vs tors. theta energy: -33.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1152.412939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.412939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.412939 (E_RNA) where: Base-Base interactions energy: -804.885 where: short stacking energy: -360.103 Base-Backbone interact. energy: -1.372 local terms energy: -346.156308 where: bonds (distance) C4'-P energy: -71.801 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -69.733 flat angles P-C4'-P energy: -40.103 tors. eta vs tors. theta energy: -103.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1085.984177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.984177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.984177 (E_RNA) where: Base-Base interactions energy: -735.186 where: short stacking energy: -340.925 Base-Backbone interact. energy: -0.651 local terms energy: -350.148012 where: bonds (distance) C4'-P energy: -62.293 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -74.563 flat angles P-C4'-P energy: -54.955 tors. eta vs tors. theta energy: -96.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1097.819689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.819689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.819689 (E_RNA) where: Base-Base interactions energy: -768.394 where: short stacking energy: -333.483 Base-Backbone interact. energy: -1.431 local terms energy: -327.994418 where: bonds (distance) C4'-P energy: -65.238 bonds (distance) P-C4' energy: -55.041 flat angles C4'-P-C4' energy: -70.911 flat angles P-C4'-P energy: -43.680 tors. eta vs tors. theta energy: -93.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1017.064677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.064677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.064677 (E_RNA) where: Base-Base interactions energy: -691.768 where: short stacking energy: -325.275 Base-Backbone interact. energy: -1.299 local terms energy: -323.997857 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -86.426 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: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -968.943376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.943376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.943376 (E_RNA) where: Base-Base interactions energy: -674.105 where: short stacking energy: -273.979 Base-Backbone interact. energy: 1.104 local terms energy: -295.942737 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -58.275 flat angles P-C4'-P energy: -44.646 tors. eta vs tors. theta energy: -71.745 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: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -912.284972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.284972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.284972 (E_RNA) where: Base-Base interactions energy: -634.325 where: short stacking energy: -259.216 Base-Backbone interact. energy: 0.092 local terms energy: -278.051736 where: bonds (distance) C4'-P energy: -53.534 bonds (distance) P-C4' energy: -53.375 flat angles C4'-P-C4' energy: -62.245 flat angles P-C4'-P energy: -42.389 tors. eta vs tors. theta energy: -66.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -776.267240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.267240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.267240 (E_RNA) where: Base-Base interactions energy: -502.304 where: short stacking energy: -227.598 Base-Backbone interact. energy: -0.674 local terms energy: -273.288617 where: bonds (distance) C4'-P energy: -47.583 bonds (distance) P-C4' energy: -51.834 flat angles C4'-P-C4' energy: -69.205 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: -59.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -729.454132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.454132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.454132 (E_RNA) where: Base-Base interactions energy: -490.933 where: short stacking energy: -237.695 Base-Backbone interact. energy: -0.337 local terms energy: -238.184436 where: bonds (distance) C4'-P energy: -46.187 bonds (distance) P-C4' energy: -47.309 flat angles C4'-P-C4' energy: -54.668 flat angles P-C4'-P energy: -36.927 tors. eta vs tors. theta energy: -53.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -682.038687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.038687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.038687 (E_RNA) where: Base-Base interactions energy: -435.905 where: short stacking energy: -192.427 Base-Backbone interact. energy: -0.787 local terms energy: -245.346681 where: bonds (distance) C4'-P energy: -53.725 bonds (distance) P-C4' energy: -51.530 flat angles C4'-P-C4' energy: -60.215 flat angles P-C4'-P energy: -34.923 tors. eta vs tors. theta energy: -44.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -607.984220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.984220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.984220 (E_RNA) where: Base-Base interactions energy: -406.021 where: short stacking energy: -183.381 Base-Backbone interact. energy: 1.175 local terms energy: -203.138241 where: bonds (distance) C4'-P energy: -49.596 bonds (distance) P-C4' energy: -52.972 flat angles C4'-P-C4' energy: -37.715 flat angles P-C4'-P energy: -29.953 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: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1149.958276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.958276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.958276 (E_RNA) where: Base-Base interactions energy: -816.059 where: short stacking energy: -350.242 Base-Backbone interact. energy: -0.790 local terms energy: -333.109163 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -60.017 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -97.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1080.923104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.923104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.923104 (E_RNA) where: Base-Base interactions energy: -752.422 where: short stacking energy: -360.291 Base-Backbone interact. energy: -1.276 local terms energy: -327.225200 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -54.463 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: -96.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1088.649207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.649207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.649207 (E_RNA) where: Base-Base interactions energy: -774.423 where: short stacking energy: -323.378 Base-Backbone interact. energy: -1.426 local terms energy: -312.800071 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -47.917 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -91.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1000.005406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.005406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.005406 (E_RNA) where: Base-Base interactions energy: -686.568 where: short stacking energy: -304.727 Base-Backbone interact. energy: -1.372 local terms energy: -312.065746 where: bonds (distance) C4'-P energy: -63.970 bonds (distance) P-C4' energy: -53.663 flat angles C4'-P-C4' energy: -67.011 flat angles P-C4'-P energy: -42.994 tors. eta vs tors. theta energy: -84.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -980.668688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.668688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.668688 (E_RNA) where: Base-Base interactions energy: -690.990 where: short stacking energy: -295.424 Base-Backbone interact. energy: -0.329 local terms energy: -289.349503 where: bonds (distance) C4'-P energy: -56.161 bonds (distance) P-C4' energy: -52.872 flat angles C4'-P-C4' energy: -65.844 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -77.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -939.872502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.872502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.872502 (E_RNA) where: Base-Base interactions energy: -648.071 where: short stacking energy: -278.430 Base-Backbone interact. energy: -1.798 local terms energy: -290.003171 where: bonds (distance) C4'-P energy: -65.593 bonds (distance) P-C4' energy: -46.229 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -38.493 tors. eta vs tors. theta energy: -75.237 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: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -759.814562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.814562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.814562 (E_RNA) where: Base-Base interactions energy: -497.358 where: short stacking energy: -239.946 Base-Backbone interact. energy: -1.677 local terms energy: -260.779079 where: bonds (distance) C4'-P energy: -53.524 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -23.767 tors. eta vs tors. theta energy: -54.634 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: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -762.450173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.450173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.450173 (E_RNA) where: Base-Base interactions energy: -508.368 where: short stacking energy: -244.660 Base-Backbone interact. energy: -1.092 local terms energy: -252.989548 where: bonds (distance) C4'-P energy: -42.998 bonds (distance) P-C4' energy: -51.763 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: -59.494 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: 314 Temperature: 1.300000 Total energy: -653.357851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.357851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.357851 (E_RNA) where: Base-Base interactions energy: -441.898 where: short stacking energy: -196.854 Base-Backbone interact. energy: 2.427 local terms energy: -213.887099 where: bonds (distance) C4'-P energy: -46.347 bonds (distance) P-C4' energy: -49.558 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -25.756 tors. eta vs tors. theta energy: -35.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -530.009407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.009407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.009407 (E_RNA) where: Base-Base interactions energy: -343.713 where: short stacking energy: -140.702 Base-Backbone interact. energy: -1.428 local terms energy: -184.868489 where: bonds (distance) C4'-P energy: -29.255 bonds (distance) P-C4' energy: -52.835 flat angles C4'-P-C4' energy: -44.254 flat angles P-C4'-P energy: -28.643 tors. eta vs tors. theta energy: -29.882 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: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1144.009902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.009902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.009902 (E_RNA) where: Base-Base interactions energy: -786.242 where: short stacking energy: -338.807 Base-Backbone interact. energy: -2.744 local terms energy: -355.023921 where: bonds (distance) C4'-P energy: -67.449 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -72.108 flat angles P-C4'-P energy: -57.299 tors. eta vs tors. theta energy: -95.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1088.332796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.332796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.332796 (E_RNA) where: Base-Base interactions energy: -771.108 where: short stacking energy: -330.898 Base-Backbone interact. energy: -0.545 local terms energy: -316.679476 where: bonds (distance) C4'-P energy: -62.190 bonds (distance) P-C4' energy: -55.512 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -87.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1056.110648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.110648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.110648 (E_RNA) where: Base-Base interactions energy: -729.794 where: short stacking energy: -326.244 Base-Backbone interact. energy: -0.273 local terms energy: -326.044257 where: bonds (distance) C4'-P energy: -51.972 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -63.803 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -89.592 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: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1017.929528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.929528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.929528 (E_RNA) where: Base-Base interactions energy: -707.070 where: short stacking energy: -292.514 Base-Backbone interact. energy: -0.707 local terms energy: -310.153032 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -73.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -968.150462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.150462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.150462 (E_RNA) where: Base-Base interactions energy: -667.444 where: short stacking energy: -299.308 Base-Backbone interact. energy: -1.248 local terms energy: -299.458805 where: bonds (distance) C4'-P energy: -48.690 bonds (distance) P-C4' energy: -53.687 flat angles C4'-P-C4' energy: -62.844 flat angles P-C4'-P energy: -45.226 tors. eta vs tors. theta energy: -89.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -931.042126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.042126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.042126 (E_RNA) where: Base-Base interactions energy: -641.256 where: short stacking energy: -279.660 Base-Backbone interact. energy: 0.479 local terms energy: -290.265617 where: bonds (distance) C4'-P energy: -47.533 bonds (distance) P-C4' energy: -58.908 flat angles C4'-P-C4' energy: -64.292 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -77.711 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: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -745.784714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.784714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.784714 (E_RNA) where: Base-Base interactions energy: -482.605 where: short stacking energy: -229.588 Base-Backbone interact. energy: -1.387 local terms energy: -261.792766 where: bonds (distance) C4'-P energy: -49.903 bonds (distance) P-C4' energy: -56.594 flat angles C4'-P-C4' energy: -59.748 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -52.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -746.418417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.418417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.418417 (E_RNA) where: Base-Base interactions energy: -499.262 where: short stacking energy: -230.260 Base-Backbone interact. energy: 0.618 local terms energy: -247.774383 where: bonds (distance) C4'-P energy: -51.198 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -60.262 flat angles P-C4'-P energy: -31.999 tors. eta vs tors. theta energy: -46.643 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: 315 Temperature: 1.300000 Total energy: -671.639192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.639192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.639192 (E_RNA) where: Base-Base interactions energy: -423.200 where: short stacking energy: -200.180 Base-Backbone interact. energy: 1.636 local terms energy: -250.075734 where: bonds (distance) C4'-P energy: -56.674 bonds (distance) P-C4' energy: -54.161 flat angles C4'-P-C4' energy: -61.289 flat angles P-C4'-P energy: -37.742 tors. eta vs tors. theta energy: -40.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -529.017758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.017758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.017758 (E_RNA) where: Base-Base interactions energy: -338.686 where: short stacking energy: -164.559 Base-Backbone interact. energy: 2.079 local terms energy: -192.410763 where: bonds (distance) C4'-P energy: -45.875 bonds (distance) P-C4' energy: -55.876 flat angles C4'-P-C4' energy: -33.038 flat angles P-C4'-P energy: -29.225 tors. eta vs tors. theta energy: -28.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1149.336733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.336733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.336733 (E_RNA) where: Base-Base interactions energy: -797.599 where: short stacking energy: -352.477 Base-Backbone interact. energy: -2.361 local terms energy: -349.376837 where: bonds (distance) C4'-P energy: -71.859 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -69.804 flat angles P-C4'-P energy: -53.014 tors. eta vs tors. theta energy: -96.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1112.252691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.252691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.252691 (E_RNA) where: Base-Base interactions energy: -788.676 where: short stacking energy: -341.361 Base-Backbone interact. energy: -3.027 local terms energy: -320.549457 where: bonds (distance) C4'-P energy: -52.237 bonds (distance) P-C4' energy: -59.896 flat angles C4'-P-C4' energy: -67.750 flat angles P-C4'-P energy: -39.705 tors. eta vs tors. theta energy: -100.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1069.715561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.715561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.715561 (E_RNA) where: Base-Base interactions energy: -733.894 where: short stacking energy: -333.518 Base-Backbone interact. energy: -1.415 local terms energy: -334.406611 where: bonds (distance) C4'-P energy: -61.374 bonds (distance) P-C4' energy: -60.544 flat angles C4'-P-C4' energy: -68.212 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -93.668 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: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1018.127655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.127655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.127655 (E_RNA) where: Base-Base interactions energy: -707.589 where: short stacking energy: -276.133 Base-Backbone interact. energy: 0.280 local terms energy: -310.818785 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -68.005 flat angles C4'-P-C4' energy: -68.492 flat angles P-C4'-P energy: -38.907 tors. eta vs tors. theta energy: -73.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -988.939102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.939102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.939102 (E_RNA) where: Base-Base interactions energy: -673.172 where: short stacking energy: -314.379 Base-Backbone interact. energy: -0.977 local terms energy: -314.789210 where: bonds (distance) C4'-P energy: -55.075 bonds (distance) P-C4' energy: -63.413 flat angles C4'-P-C4' energy: -70.320 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -82.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -952.532712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.532712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.532712 (E_RNA) where: Base-Base interactions energy: -654.836 where: short stacking energy: -287.210 Base-Backbone interact. energy: 0.312 local terms energy: -298.008557 where: bonds (distance) C4'-P energy: -50.945 bonds (distance) P-C4' energy: -63.434 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -37.585 tors. eta vs tors. theta energy: -76.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -739.174162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.174162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.174162 (E_RNA) where: Base-Base interactions energy: -467.511 where: short stacking energy: -213.212 Base-Backbone interact. energy: -0.345 local terms energy: -271.317539 where: bonds (distance) C4'-P energy: -65.853 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -54.595 flat angles P-C4'-P energy: -34.830 tors. eta vs tors. theta energy: -52.181 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: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -702.977357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.977357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.977357 (E_RNA) where: Base-Base interactions energy: -470.607 where: short stacking energy: -211.878 Base-Backbone interact. energy: -0.361 local terms energy: -232.008797 where: bonds (distance) C4'-P energy: -41.651 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -55.715 flat angles P-C4'-P energy: -32.672 tors. eta vs tors. theta energy: -46.446 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: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -649.874897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.874897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.874897 (E_RNA) where: Base-Base interactions energy: -415.894 where: short stacking energy: -187.784 Base-Backbone interact. energy: -0.319 local terms energy: -233.661374 where: bonds (distance) C4'-P energy: -45.327 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -57.640 flat angles P-C4'-P energy: -23.845 tors. eta vs tors. theta energy: -47.766 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: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -457.391827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.391827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.391827 (E_RNA) where: Base-Base interactions energy: -256.698 where: short stacking energy: -122.268 Base-Backbone interact. energy: -0.763 local terms energy: -199.930675 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -51.500 flat angles P-C4'-P energy: -27.627 tors. eta vs tors. theta energy: -9.131 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: 317 Temperature: 0.900000 Total energy: -1169.308703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.308703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.308703 (E_RNA) where: Base-Base interactions energy: -817.156 where: short stacking energy: -347.637 Base-Backbone interact. energy: -1.085 local terms energy: -351.067045 where: bonds (distance) C4'-P energy: -67.468 bonds (distance) P-C4' energy: -61.441 flat angles C4'-P-C4' energy: -76.778 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -99.176 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: 317 Temperature: 0.950000 Total energy: -1111.273551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.273551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.273551 (E_RNA) where: Base-Base interactions energy: -775.588 where: short stacking energy: -342.178 Base-Backbone interact. energy: -0.491 local terms energy: -335.195325 where: bonds (distance) C4'-P energy: -59.182 bonds (distance) P-C4' energy: -60.461 flat angles C4'-P-C4' energy: -77.653 flat angles P-C4'-P energy: -42.628 tors. eta vs tors. theta energy: -95.271 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: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1050.456856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.456856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.456856 (E_RNA) where: Base-Base interactions energy: -735.227 where: short stacking energy: -340.030 Base-Backbone interact. energy: -0.625 local terms energy: -314.604616 where: bonds (distance) C4'-P energy: -48.958 bonds (distance) P-C4' energy: -55.438 flat angles C4'-P-C4' energy: -67.384 flat angles P-C4'-P energy: -50.899 tors. eta vs tors. theta energy: -91.927 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: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1010.067144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.067144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.067144 (E_RNA) where: Base-Base interactions energy: -714.513 where: short stacking energy: -303.081 Base-Backbone interact. energy: -0.083 local terms energy: -295.471524 where: bonds (distance) C4'-P energy: -56.855 bonds (distance) P-C4' energy: -51.433 flat angles C4'-P-C4' energy: -67.631 flat angles P-C4'-P energy: -36.549 tors. eta vs tors. theta energy: -83.004 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: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -978.664748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.664748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.664748 (E_RNA) where: Base-Base interactions energy: -668.263 where: short stacking energy: -307.798 Base-Backbone interact. energy: 0.053 local terms energy: -310.455152 where: bonds (distance) C4'-P energy: -51.585 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -72.203 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: -84.763 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: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -945.969782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.969782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.969782 (E_RNA) where: Base-Base interactions energy: -639.553 where: short stacking energy: -293.600 Base-Backbone interact. energy: -1.025 local terms energy: -305.391868 where: bonds (distance) C4'-P energy: -56.643 bonds (distance) P-C4' energy: -56.439 flat angles C4'-P-C4' energy: -64.659 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -77.331 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: 317 Temperature: 1.200000 Total energy: -776.904847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.904847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.904847 (E_RNA) where: Base-Base interactions energy: -509.623 where: short stacking energy: -224.757 Base-Backbone interact. energy: -0.506 local terms energy: -266.775897 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -54.170 flat angles C4'-P-C4' energy: -65.115 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: -50.072 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: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -754.462300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.462300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.462300 (E_RNA) where: Base-Base interactions energy: -498.137 where: short stacking energy: -228.725 Base-Backbone interact. energy: 1.474 local terms energy: -257.799354 where: bonds (distance) C4'-P energy: -47.195 bonds (distance) P-C4' energy: -52.619 flat angles C4'-P-C4' energy: -55.512 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -60.066 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: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -706.632533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.632533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.632533 (E_RNA) where: Base-Base interactions energy: -485.389 where: short stacking energy: -211.924 Base-Backbone interact. energy: 0.273 local terms energy: -221.516032 where: bonds (distance) C4'-P energy: -47.065 bonds (distance) P-C4' energy: -46.627 flat angles C4'-P-C4' energy: -52.544 flat angles P-C4'-P energy: -29.487 tors. eta vs tors. theta energy: -45.793 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: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -533.136137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.136137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.136137 (E_RNA) where: Base-Base interactions energy: -323.470 where: short stacking energy: -160.665 Base-Backbone interact. energy: -1.684 local terms energy: -207.981922 where: bonds (distance) C4'-P energy: -56.907 bonds (distance) P-C4' energy: -50.418 flat angles C4'-P-C4' energy: -46.584 flat angles P-C4'-P energy: -30.392 tors. eta vs tors. theta energy: -23.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1153.615813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.615813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.615813 (E_RNA) where: Base-Base interactions energy: -822.122 where: short stacking energy: -354.428 Base-Backbone interact. energy: 0.648 local terms energy: -332.142150 where: bonds (distance) C4'-P energy: -59.706 bonds (distance) P-C4' energy: -68.884 flat angles C4'-P-C4' energy: -70.717 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: -96.658 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: 318 Temperature: 0.950000 Total energy: -1113.339848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.339848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.339848 (E_RNA) where: Base-Base interactions energy: -781.454 where: short stacking energy: -335.165 Base-Backbone interact. energy: -2.346 local terms energy: -329.539425 where: bonds (distance) C4'-P energy: -56.793 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -74.092 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -90.191 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: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1065.388442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.388442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.388442 (E_RNA) where: Base-Base interactions energy: -726.787 where: short stacking energy: -336.274 Base-Backbone interact. energy: -1.534 local terms energy: -337.067023 where: bonds (distance) C4'-P energy: -60.732 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: -95.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1004.147965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.147965 (E_RNA) where: Base-Base interactions energy: -705.997 where: short stacking energy: -291.843 Base-Backbone interact. energy: -0.336 local terms energy: -297.815178 where: bonds (distance) C4'-P energy: -65.691 bonds (distance) P-C4' energy: -54.151 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -30.346 tors. eta vs tors. theta energy: -79.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -967.944305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.944305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.944305 (E_RNA) where: Base-Base interactions energy: -671.183 where: short stacking energy: -298.166 Base-Backbone interact. energy: 0.600 local terms energy: -297.361485 where: bonds (distance) C4'-P energy: -47.041 bonds (distance) P-C4' energy: -57.463 flat angles C4'-P-C4' energy: -64.876 flat angles P-C4'-P energy: -46.744 tors. eta vs tors. theta energy: -81.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -894.458172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.458172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.458172 (E_RNA) where: Base-Base interactions energy: -607.419 where: short stacking energy: -263.328 Base-Backbone interact. energy: -2.004 local terms energy: -285.035175 where: bonds (distance) C4'-P energy: -58.254 bonds (distance) P-C4' energy: -52.305 flat angles C4'-P-C4' energy: -66.487 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -63.896 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: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -818.328880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.328880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.328880 (E_RNA) where: Base-Base interactions energy: -549.968 where: short stacking energy: -259.569 Base-Backbone interact. energy: 0.265 local terms energy: -268.625620 where: bonds (distance) C4'-P energy: -54.609 bonds (distance) P-C4' energy: -47.376 flat angles C4'-P-C4' energy: -61.136 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -60.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -765.456514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.456514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.456514 (E_RNA) where: Base-Base interactions energy: -491.365 where: short stacking energy: -222.507 Base-Backbone interact. energy: -0.214 local terms energy: -273.877550 where: bonds (distance) C4'-P energy: -51.920 bonds (distance) P-C4' energy: -59.186 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: -61.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -732.822929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.822929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.822929 (E_RNA) where: Base-Base interactions energy: -469.541 where: short stacking energy: -230.563 Base-Backbone interact. energy: -0.716 local terms energy: -262.565328 where: bonds (distance) C4'-P energy: -52.302 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -57.497 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: -55.560 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: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -536.044442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.044442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.044442 (E_RNA) where: Base-Base interactions energy: -347.652 where: short stacking energy: -158.063 Base-Backbone interact. energy: 1.929 local terms energy: -190.320512 where: bonds (distance) C4'-P energy: -40.013 bonds (distance) P-C4' energy: -44.803 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -34.582 tors. eta vs tors. theta energy: -18.394 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: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1153.788921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.788921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.788921 (E_RNA) where: Base-Base interactions energy: -816.498 where: short stacking energy: -350.998 Base-Backbone interact. energy: 0.318 local terms energy: -337.608992 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -67.324 flat angles P-C4'-P energy: -50.748 tors. eta vs tors. theta energy: -94.447 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: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1116.579401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.579401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.579401 (E_RNA) where: Base-Base interactions energy: -782.321 where: short stacking energy: -339.893 Base-Backbone interact. energy: -1.371 local terms energy: -332.886636 where: bonds (distance) C4'-P energy: -60.305 bonds (distance) P-C4' energy: -63.221 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -44.083 tors. eta vs tors. theta energy: -93.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1037.012482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.012482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.012482 (E_RNA) where: Base-Base interactions energy: -701.568 where: short stacking energy: -318.205 Base-Backbone interact. energy: 2.863 local terms energy: -338.306818 where: bonds (distance) C4'-P energy: -64.894 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: -93.593 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: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1026.894469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.894469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.894469 (E_RNA) where: Base-Base interactions energy: -723.979 where: short stacking energy: -311.808 Base-Backbone interact. energy: 1.977 local terms energy: -304.892727 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -55.807 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -83.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -951.934943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.934943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.934943 (E_RNA) where: Base-Base interactions energy: -643.986 where: short stacking energy: -279.586 Base-Backbone interact. energy: 0.664 local terms energy: -308.612735 where: bonds (distance) C4'-P energy: -65.173 bonds (distance) P-C4' energy: -49.411 flat angles C4'-P-C4' energy: -73.160 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -76.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -894.745813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.745813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.745813 (E_RNA) where: Base-Base interactions energy: -603.681 where: short stacking energy: -279.000 Base-Backbone interact. energy: -1.321 local terms energy: -289.743629 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -60.469 flat angles C4'-P-C4' energy: -70.817 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -65.665 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: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -822.859233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.859233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.859233 (E_RNA) where: Base-Base interactions energy: -558.479 where: short stacking energy: -239.498 Base-Backbone interact. energy: -0.154 local terms energy: -264.226629 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -50.163 flat angles C4'-P-C4' energy: -52.870 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: -59.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -766.815339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.815339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.815339 (E_RNA) where: Base-Base interactions energy: -492.132 where: short stacking energy: -222.737 Base-Backbone interact. energy: -0.412 local terms energy: -274.270574 where: bonds (distance) C4'-P energy: -51.088 bonds (distance) P-C4' energy: -64.290 flat angles C4'-P-C4' energy: -61.170 flat angles P-C4'-P energy: -33.103 tors. eta vs tors. theta energy: -64.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -665.809823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.809823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.809823 (E_RNA) where: Base-Base interactions energy: -430.303 where: short stacking energy: -202.354 Base-Backbone interact. energy: -0.664 local terms energy: -234.843657 where: bonds (distance) C4'-P energy: -43.515 bonds (distance) P-C4' energy: -52.168 flat angles C4'-P-C4' energy: -52.310 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -40.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -538.457839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.457839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.457839 (E_RNA) where: Base-Base interactions energy: -354.109 where: short stacking energy: -167.830 Base-Backbone interact. energy: -1.651 local terms energy: -182.698362 where: bonds (distance) C4'-P energy: -29.229 bonds (distance) P-C4' energy: -49.008 flat angles C4'-P-C4' energy: -45.238 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1141.389216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.389216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.389216 (E_RNA) where: Base-Base interactions energy: -795.508 where: short stacking energy: -344.114 Base-Backbone interact. energy: -1.556 local terms energy: -344.324905 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -77.982 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -97.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1150.086521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.086521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.086521 (E_RNA) where: Base-Base interactions energy: -831.054 where: short stacking energy: -345.610 Base-Backbone interact. energy: -0.017 local terms energy: -319.015546 where: bonds (distance) C4'-P energy: -51.759 bonds (distance) P-C4' energy: -59.158 flat angles C4'-P-C4' energy: -63.714 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -97.714 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: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1033.155986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.155986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.155986 (E_RNA) where: Base-Base interactions energy: -712.627 where: short stacking energy: -281.603 Base-Backbone interact. energy: 0.089 local terms energy: -320.617420 where: bonds (distance) C4'-P energy: -63.394 bonds (distance) P-C4' energy: -69.875 flat angles C4'-P-C4' energy: -67.836 flat angles P-C4'-P energy: -49.156 tors. eta vs tors. theta energy: -70.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1023.650109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.650109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.650109 (E_RNA) where: Base-Base interactions energy: -701.220 where: short stacking energy: -330.087 Base-Backbone interact. energy: -0.989 local terms energy: -321.441611 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -60.535 flat angles C4'-P-C4' energy: -66.870 flat angles P-C4'-P energy: -53.616 tors. eta vs tors. theta energy: -82.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -969.888357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.888357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.888357 (E_RNA) where: Base-Base interactions energy: -639.784 where: short stacking energy: -302.454 Base-Backbone interact. energy: -1.914 local terms energy: -328.190822 where: bonds (distance) C4'-P energy: -52.888 bonds (distance) P-C4' energy: -64.787 flat angles C4'-P-C4' energy: -72.424 flat angles P-C4'-P energy: -45.416 tors. eta vs tors. theta energy: -92.676 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: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -869.650596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.650596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.650596 (E_RNA) where: Base-Base interactions energy: -589.083 where: short stacking energy: -242.878 Base-Backbone interact. energy: -0.709 local terms energy: -279.858674 where: bonds (distance) C4'-P energy: -63.382 bonds (distance) P-C4' energy: -48.450 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -40.764 tors. eta vs tors. theta energy: -59.845 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: 7, replica: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -823.777511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.777511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.777511 (E_RNA) where: Base-Base interactions energy: -544.727 where: short stacking energy: -240.978 Base-Backbone interact. energy: -0.472 local terms energy: -278.577984 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -52.952 flat angles C4'-P-C4' energy: -66.679 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -64.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -725.241899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.241899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.241899 (E_RNA) where: Base-Base interactions energy: -475.844 where: short stacking energy: -216.496 Base-Backbone interact. energy: -1.947 local terms energy: -247.450720 where: bonds (distance) C4'-P energy: -52.927 bonds (distance) P-C4' energy: -50.618 flat angles C4'-P-C4' energy: -58.077 flat angles P-C4'-P energy: -38.573 tors. eta vs tors. theta energy: -47.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -678.425871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.425871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.425871 (E_RNA) where: Base-Base interactions energy: -444.209 where: short stacking energy: -198.931 Base-Backbone interact. energy: -2.221 local terms energy: -231.995623 where: bonds (distance) C4'-P energy: -51.990 bonds (distance) P-C4' energy: -57.904 flat angles C4'-P-C4' energy: -60.743 flat angles P-C4'-P energy: -18.032 tors. eta vs tors. theta energy: -43.327 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: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -559.060384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.060384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.060384 (E_RNA) where: Base-Base interactions energy: -361.626 where: short stacking energy: -167.216 Base-Backbone interact. energy: 2.836 local terms energy: -200.269806 where: bonds (distance) C4'-P energy: -31.475 bonds (distance) P-C4' energy: -47.090 flat angles C4'-P-C4' energy: -54.004 flat angles P-C4'-P energy: -34.946 tors. eta vs tors. theta energy: -32.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1140.033840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.033840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.033840 (E_RNA) where: Base-Base interactions energy: -802.596 where: short stacking energy: -349.113 Base-Backbone interact. energy: 0.294 local terms energy: -337.732133 where: bonds (distance) C4'-P energy: -63.047 bonds (distance) P-C4' energy: -59.993 flat angles C4'-P-C4' energy: -71.649 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -97.968 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: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1129.220790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.220790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.220790 (E_RNA) where: Base-Base interactions energy: -792.134 where: short stacking energy: -340.392 Base-Backbone interact. energy: 2.380 local terms energy: -339.466865 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -62.650 flat angles C4'-P-C4' energy: -70.562 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -99.576 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: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1038.407263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.407263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.407263 (E_RNA) where: Base-Base interactions energy: -711.932 where: short stacking energy: -310.314 Base-Backbone interact. energy: -0.822 local terms energy: -325.652711 where: bonds (distance) C4'-P energy: -61.553 bonds (distance) P-C4' energy: -56.852 flat angles C4'-P-C4' energy: -73.335 flat angles P-C4'-P energy: -45.956 tors. eta vs tors. theta energy: -87.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1035.664235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.664235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.664235 (E_RNA) where: Base-Base interactions energy: -697.954 where: short stacking energy: -317.476 Base-Backbone interact. energy: 0.003 local terms energy: -337.713249 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -71.416 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -90.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -941.126323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.126323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.126323 (E_RNA) where: Base-Base interactions energy: -642.208 where: short stacking energy: -300.561 Base-Backbone interact. energy: -0.538 local terms energy: -298.379885 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -61.162 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -83.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -893.541484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.541484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.541484 (E_RNA) where: Base-Base interactions energy: -607.848 where: short stacking energy: -278.027 Base-Backbone interact. energy: -0.878 local terms energy: -284.815183 where: bonds (distance) C4'-P energy: -59.037 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -59.507 flat angles P-C4'-P energy: -33.552 tors. eta vs tors. theta energy: -76.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -838.299127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.299127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.299127 (E_RNA) where: Base-Base interactions energy: -562.438 where: short stacking energy: -271.043 Base-Backbone interact. energy: -0.227 local terms energy: -275.633539 where: bonds (distance) C4'-P energy: -57.618 bonds (distance) P-C4' energy: -56.394 flat angles C4'-P-C4' energy: -53.810 flat angles P-C4'-P energy: -38.769 tors. eta vs tors. theta energy: -69.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -734.724731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.724731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.724731 (E_RNA) where: Base-Base interactions energy: -489.028 where: short stacking energy: -220.423 Base-Backbone interact. energy: -0.646 local terms energy: -245.050503 where: bonds (distance) C4'-P energy: -46.123 bonds (distance) P-C4' energy: -45.668 flat angles C4'-P-C4' energy: -66.859 flat angles P-C4'-P energy: -32.962 tors. eta vs tors. theta energy: -53.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -676.659143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.659143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.659143 (E_RNA) where: Base-Base interactions energy: -440.327 where: short stacking energy: -205.673 Base-Backbone interact. energy: -0.326 local terms energy: -236.005880 where: bonds (distance) C4'-P energy: -57.423 bonds (distance) P-C4' energy: -44.783 flat angles C4'-P-C4' energy: -57.929 flat angles P-C4'-P energy: -33.750 tors. eta vs tors. theta energy: -42.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -543.612714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.612714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.612714 (E_RNA) where: Base-Base interactions energy: -332.859 where: short stacking energy: -153.114 Base-Backbone interact. energy: 0.609 local terms energy: -211.362101 where: bonds (distance) C4'-P energy: -46.958 bonds (distance) P-C4' energy: -50.530 flat angles C4'-P-C4' energy: -54.544 flat angles P-C4'-P energy: -27.364 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: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1144.266249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.266249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.266249 (E_RNA) where: Base-Base interactions energy: -799.785 where: short stacking energy: -346.999 Base-Backbone interact. energy: -2.712 local terms energy: -341.768695 where: bonds (distance) C4'-P energy: -68.691 bonds (distance) P-C4' energy: -59.974 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -98.567 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: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1126.070893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.070893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.070893 (E_RNA) where: Base-Base interactions energy: -784.966 where: short stacking energy: -351.864 Base-Backbone interact. energy: -0.872 local terms energy: -340.232751 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -70.048 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -105.098 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: 322 Temperature: 1.000000 Total energy: -1002.436098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.436098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.436098 (E_RNA) where: Base-Base interactions energy: -688.274 where: short stacking energy: -299.768 Base-Backbone interact. energy: -0.974 local terms energy: -313.188468 where: bonds (distance) C4'-P energy: -47.313 bonds (distance) P-C4' energy: -68.355 flat angles C4'-P-C4' energy: -69.189 flat angles P-C4'-P energy: -46.571 tors. eta vs tors. theta energy: -81.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1024.424634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.424634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.424634 (E_RNA) where: Base-Base interactions energy: -699.421 where: short stacking energy: -337.389 Base-Backbone interact. energy: -0.696 local terms energy: -324.307642 where: bonds (distance) C4'-P energy: -51.223 bonds (distance) P-C4' energy: -59.433 flat angles C4'-P-C4' energy: -75.603 flat angles P-C4'-P energy: -35.960 tors. eta vs tors. theta energy: -102.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -942.461382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.461382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.461382 (E_RNA) where: Base-Base interactions energy: -630.551 where: short stacking energy: -292.532 Base-Backbone interact. energy: 0.139 local terms energy: -312.049412 where: bonds (distance) C4'-P energy: -60.690 bonds (distance) P-C4' energy: -63.339 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -39.429 tors. eta vs tors. theta energy: -81.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -928.657132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.657132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.657132 (E_RNA) where: Base-Base interactions energy: -612.205 where: short stacking energy: -289.171 Base-Backbone interact. energy: -0.855 local terms energy: -315.596502 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -58.695 flat angles C4'-P-C4' energy: -62.217 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: -80.883 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: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -761.541702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.541702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.541702 (E_RNA) where: Base-Base interactions energy: -507.865 where: short stacking energy: -222.967 Base-Backbone interact. energy: -0.823 local terms energy: -252.853117 where: bonds (distance) C4'-P energy: -50.291 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -54.439 flat angles P-C4'-P energy: -36.274 tors. eta vs tors. theta energy: -49.565 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: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -724.031769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.031769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.031769 (E_RNA) where: Base-Base interactions energy: -491.567 where: short stacking energy: -227.773 Base-Backbone interact. energy: 6.664 local terms energy: -239.129186 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -52.668 flat angles C4'-P-C4' energy: -50.078 flat angles P-C4'-P energy: -33.259 tors. eta vs tors. theta energy: -48.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -694.688728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.688728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.688728 (E_RNA) where: Base-Base interactions energy: -457.416 where: short stacking energy: -209.244 Base-Backbone interact. energy: 0.374 local terms energy: -237.646774 where: bonds (distance) C4'-P energy: -53.218 bonds (distance) P-C4' energy: -55.632 flat angles C4'-P-C4' energy: -51.550 flat angles P-C4'-P energy: -36.066 tors. eta vs tors. theta energy: -41.181 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: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -577.948130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.948130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.948130 (E_RNA) where: Base-Base interactions energy: -367.438 where: short stacking energy: -140.923 Base-Backbone interact. energy: -0.770 local terms energy: -209.740505 where: bonds (distance) C4'-P energy: -48.550 bonds (distance) P-C4' energy: -65.112 flat angles C4'-P-C4' energy: -51.401 flat angles P-C4'-P energy: -29.058 tors. eta vs tors. theta energy: -15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1148.221701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.221701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.221701 (E_RNA) where: Base-Base interactions energy: -812.286 where: short stacking energy: -340.556 Base-Backbone interact. energy: -2.188 local terms energy: -333.747780 where: bonds (distance) C4'-P energy: -61.489 bonds (distance) P-C4' energy: -63.726 flat angles C4'-P-C4' energy: -68.729 flat angles P-C4'-P energy: -38.006 tors. eta vs tors. theta energy: -101.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1130.185053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.185053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.185053 (E_RNA) where: Base-Base interactions energy: -787.737 where: short stacking energy: -339.926 Base-Backbone interact. energy: 0.323 local terms energy: -342.770888 where: bonds (distance) C4'-P energy: -60.017 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -78.444 flat angles P-C4'-P energy: -43.654 tors. eta vs tors. theta energy: -101.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1033.518321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.518321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.518321 (E_RNA) where: Base-Base interactions energy: -717.868 where: short stacking energy: -306.917 Base-Backbone interact. energy: 0.785 local terms energy: -316.435044 where: bonds (distance) C4'-P energy: -55.335 bonds (distance) P-C4' energy: -60.228 flat angles C4'-P-C4' energy: -67.405 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -80.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1035.981321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.981321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.981321 (E_RNA) where: Base-Base interactions energy: -706.319 where: short stacking energy: -323.212 Base-Backbone interact. energy: 0.310 local terms energy: -329.972654 where: bonds (distance) C4'-P energy: -56.546 bonds (distance) P-C4' energy: -57.711 flat angles C4'-P-C4' energy: -74.892 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -99.359 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: 5, replica: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -925.762803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.762803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.762803 (E_RNA) where: Base-Base interactions energy: -615.097 where: short stacking energy: -271.084 Base-Backbone interact. energy: 0.433 local terms energy: -311.098090 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -56.234 flat angles C4'-P-C4' energy: -61.941 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: -74.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -815.749541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.749541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.749541 (E_RNA) where: Base-Base interactions energy: -551.094 where: short stacking energy: -254.532 Base-Backbone interact. energy: -1.137 local terms energy: -263.518168 where: bonds (distance) C4'-P energy: -48.395 bonds (distance) P-C4' energy: -54.044 flat angles C4'-P-C4' energy: -62.400 flat angles P-C4'-P energy: -34.018 tors. eta vs tors. theta energy: -64.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -887.280393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.280393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.280393 (E_RNA) where: Base-Base interactions energy: -611.676 where: short stacking energy: -262.904 Base-Backbone interact. energy: -1.314 local terms energy: -274.290679 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -62.028 flat angles C4'-P-C4' energy: -60.855 flat angles P-C4'-P energy: -30.025 tors. eta vs tors. theta energy: -66.959 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: 323 Temperature: 1.250000 Total energy: -705.403994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.403994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.403994 (E_RNA) where: Base-Base interactions energy: -449.801 where: short stacking energy: -195.322 Base-Backbone interact. energy: -2.390 local terms energy: -253.212842 where: bonds (distance) C4'-P energy: -60.352 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -51.282 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -43.307 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: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -618.066006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.066006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.066006 (E_RNA) where: Base-Base interactions energy: -396.213 where: short stacking energy: -174.098 Base-Backbone interact. energy: -0.639 local terms energy: -221.214196 where: bonds (distance) C4'-P energy: -48.203 bonds (distance) P-C4' energy: -42.144 flat angles C4'-P-C4' energy: -56.789 flat angles P-C4'-P energy: -38.537 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: 10, replica: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -517.664619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.664619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.664619 (E_RNA) where: Base-Base interactions energy: -311.803 where: short stacking energy: -165.273 Base-Backbone interact. energy: 2.870 local terms energy: -208.730727 where: bonds (distance) C4'-P energy: -37.744 bonds (distance) P-C4' energy: -50.084 flat angles C4'-P-C4' energy: -58.221 flat angles P-C4'-P energy: -32.837 tors. eta vs tors. theta energy: -29.845 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: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1148.681659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.681659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.681659 (E_RNA) where: Base-Base interactions energy: -794.206 where: short stacking energy: -335.889 Base-Backbone interact. energy: -3.876 local terms energy: -350.599016 where: bonds (distance) C4'-P energy: -67.047 bonds (distance) P-C4' energy: -65.503 flat angles C4'-P-C4' energy: -71.993 flat angles P-C4'-P energy: -47.702 tors. eta vs tors. theta energy: -98.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1134.489913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.489913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.489913 (E_RNA) where: Base-Base interactions energy: -793.251 where: short stacking energy: -360.051 Base-Backbone interact. energy: -1.060 local terms energy: -340.179351 where: bonds (distance) C4'-P energy: -57.017 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -95.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1022.466242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.466242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.466242 (E_RNA) where: Base-Base interactions energy: -729.544 where: short stacking energy: -295.692 Base-Backbone interact. energy: 0.736 local terms energy: -293.657819 where: bonds (distance) C4'-P energy: -48.173 bonds (distance) P-C4' energy: -68.875 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -35.016 tors. eta vs tors. theta energy: -77.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1019.021611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.021611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.021611 (E_RNA) where: Base-Base interactions energy: -690.093 where: short stacking energy: -321.445 Base-Backbone interact. energy: 0.679 local terms energy: -329.607336 where: bonds (distance) C4'-P energy: -60.486 bonds (distance) P-C4' energy: -61.190 flat angles C4'-P-C4' energy: -66.482 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -90.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -937.344663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.344663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.344663 (E_RNA) where: Base-Base interactions energy: -626.657 where: short stacking energy: -261.046 Base-Backbone interact. energy: -1.138 local terms energy: -309.549153 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -57.279 flat angles C4'-P-C4' energy: -70.690 flat angles P-C4'-P energy: -46.970 tors. eta vs tors. theta energy: -68.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -831.269041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.269041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.269041 (E_RNA) where: Base-Base interactions energy: -557.863 where: short stacking energy: -271.360 Base-Backbone interact. energy: -0.337 local terms energy: -273.069090 where: bonds (distance) C4'-P energy: -48.664 bonds (distance) P-C4' energy: -50.514 flat angles C4'-P-C4' energy: -68.313 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -65.752 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: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -716.495508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.495508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.495508 (E_RNA) where: Base-Base interactions energy: -468.413 where: short stacking energy: -222.315 Base-Backbone interact. energy: 1.261 local terms energy: -249.343390 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -43.046 flat angles C4'-P-C4' energy: -54.848 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -51.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -834.784669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.784669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.784669 (E_RNA) where: Base-Base interactions energy: -553.615 where: short stacking energy: -251.336 Base-Backbone interact. energy: -1.416 local terms energy: -279.753718 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -52.585 flat angles C4'-P-C4' energy: -64.613 flat angles P-C4'-P energy: -43.758 tors. eta vs tors. theta energy: -61.300 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: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -679.136283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.136283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.136283 (E_RNA) where: Base-Base interactions energy: -422.306 where: short stacking energy: -193.557 Base-Backbone interact. energy: 0.949 local terms energy: -257.779275 where: bonds (distance) C4'-P energy: -56.333 bonds (distance) P-C4' energy: -63.200 flat angles C4'-P-C4' energy: -55.652 flat angles P-C4'-P energy: -35.051 tors. eta vs tors. theta energy: -47.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -524.415539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.415539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.415539 (E_RNA) where: Base-Base interactions energy: -299.385 where: short stacking energy: -147.140 Base-Backbone interact. energy: 0.879 local terms energy: -225.909703 where: bonds (distance) C4'-P energy: -46.233 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -57.441 flat angles P-C4'-P energy: -32.417 tors. eta vs tors. theta energy: -29.326 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: 325 Temperature: 0.900000 Total energy: -1160.310829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.310829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.310829 (E_RNA) where: Base-Base interactions energy: -814.690 where: short stacking energy: -343.195 Base-Backbone interact. energy: 0.146 local terms energy: -345.767028 where: bonds (distance) C4'-P energy: -59.226 bonds (distance) P-C4' energy: -76.519 flat angles C4'-P-C4' energy: -72.637 flat angles P-C4'-P energy: -39.809 tors. eta vs tors. theta energy: -97.577 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: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1136.181358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.181358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.181358 (E_RNA) where: Base-Base interactions energy: -787.029 where: short stacking energy: -350.633 Base-Backbone interact. energy: -2.167 local terms energy: -346.985634 where: bonds (distance) C4'-P energy: -64.518 bonds (distance) P-C4' energy: -63.155 flat angles C4'-P-C4' energy: -67.010 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: -103.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1018.429225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.429225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.429225 (E_RNA) where: Base-Base interactions energy: -711.054 where: short stacking energy: -293.069 Base-Backbone interact. energy: -2.199 local terms energy: -305.176492 where: bonds (distance) C4'-P energy: -54.581 bonds (distance) P-C4' energy: -56.821 flat angles C4'-P-C4' energy: -66.423 flat angles P-C4'-P energy: -40.262 tors. eta vs tors. theta energy: -87.089 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: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1024.078800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.078800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.078800 (E_RNA) where: Base-Base interactions energy: -696.842 where: short stacking energy: -317.409 Base-Backbone interact. energy: -0.472 local terms energy: -326.764595 where: bonds (distance) C4'-P energy: -58.008 bonds (distance) P-C4' energy: -59.751 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -48.293 tors. eta vs tors. theta energy: -88.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -927.663273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.663273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.663273 (E_RNA) where: Base-Base interactions energy: -622.238 where: short stacking energy: -291.559 Base-Backbone interact. energy: -0.428 local terms energy: -304.996682 where: bonds (distance) C4'-P energy: -47.398 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -69.351 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -74.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -871.712931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.712931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.712931 (E_RNA) where: Base-Base interactions energy: -587.337 where: short stacking energy: -270.229 Base-Backbone interact. energy: 0.582 local terms energy: -284.958422 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -60.880 flat angles C4'-P-C4' energy: -58.233 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: -71.014 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: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -718.552547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.552547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.552547 (E_RNA) where: Base-Base interactions energy: -473.082 where: short stacking energy: -220.473 Base-Backbone interact. energy: -1.306 local terms energy: -244.164297 where: bonds (distance) C4'-P energy: -44.403 bonds (distance) P-C4' energy: -56.322 flat angles C4'-P-C4' energy: -62.697 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: -48.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -832.892574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.892574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.892574 (E_RNA) where: Base-Base interactions energy: -577.697 where: short stacking energy: -248.629 Base-Backbone interact. energy: -1.584 local terms energy: -253.612091 where: bonds (distance) C4'-P energy: -45.369 bonds (distance) P-C4' energy: -57.420 flat angles C4'-P-C4' energy: -62.786 flat angles P-C4'-P energy: -24.951 tors. eta vs tors. theta energy: -63.085 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: 325 Temperature: 1.300000 Total energy: -726.363882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.363882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.363882 (E_RNA) where: Base-Base interactions energy: -461.133 where: short stacking energy: -215.822 Base-Backbone interact. energy: 0.187 local terms energy: -265.417737 where: bonds (distance) C4'-P energy: -63.338 bonds (distance) P-C4' energy: -47.282 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: -61.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -512.954701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.954701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.954701 (E_RNA) where: Base-Base interactions energy: -309.775 where: short stacking energy: -143.770 Base-Backbone interact. energy: -0.498 local terms energy: -202.682133 where: bonds (distance) C4'-P energy: -54.915 bonds (distance) P-C4' energy: -53.448 flat angles C4'-P-C4' energy: -54.966 flat angles P-C4'-P energy: -30.262 tors. eta vs tors. theta energy: -9.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1140.391035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.391035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.391035 (E_RNA) where: Base-Base interactions energy: -785.179 where: short stacking energy: -344.314 Base-Backbone interact. energy: -1.290 local terms energy: -353.921445 where: bonds (distance) C4'-P energy: -70.923 bonds (distance) P-C4' energy: -69.818 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -90.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1117.862055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.862055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.862055 (E_RNA) where: Base-Base interactions energy: -787.580 where: short stacking energy: -327.743 Base-Backbone interact. energy: 0.536 local terms energy: -330.818689 where: bonds (distance) C4'-P energy: -63.456 bonds (distance) P-C4' energy: -62.501 flat angles C4'-P-C4' energy: -75.290 flat angles P-C4'-P energy: -36.545 tors. eta vs tors. theta energy: -93.026 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: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1020.509470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.509470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.509470 (E_RNA) where: Base-Base interactions energy: -690.974 where: short stacking energy: -297.117 Base-Backbone interact. energy: -1.476 local terms energy: -328.059162 where: bonds (distance) C4'-P energy: -66.381 bonds (distance) P-C4' energy: -67.578 flat angles C4'-P-C4' energy: -59.676 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: -91.294 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: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1020.348066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.348066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.348066 (E_RNA) where: Base-Base interactions energy: -708.229 where: short stacking energy: -320.610 Base-Backbone interact. energy: -0.817 local terms energy: -311.302897 where: bonds (distance) C4'-P energy: -49.758 bonds (distance) P-C4' energy: -54.288 flat angles C4'-P-C4' energy: -68.507 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -94.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -979.579127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.579127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.579127 (E_RNA) where: Base-Base interactions energy: -663.182 where: short stacking energy: -295.509 Base-Backbone interact. energy: -0.807 local terms energy: -315.590428 where: bonds (distance) C4'-P energy: -55.771 bonds (distance) P-C4' energy: -61.652 flat angles C4'-P-C4' energy: -63.809 flat angles P-C4'-P energy: -47.898 tors. eta vs tors. theta energy: -86.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -857.600161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.600161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.600161 (E_RNA) where: Base-Base interactions energy: -564.393 where: short stacking energy: -278.123 Base-Backbone interact. energy: 2.008 local terms energy: -295.215205 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -62.390 flat angles C4'-P-C4' energy: -62.975 flat angles P-C4'-P energy: -34.347 tors. eta vs tors. theta energy: -72.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -903.131967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.131967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.131967 (E_RNA) where: Base-Base interactions energy: -622.186 where: short stacking energy: -274.088 Base-Backbone interact. energy: -0.801 local terms energy: -280.144150 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -58.885 flat angles C4'-P-C4' energy: -62.863 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -67.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -737.063962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.063962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.063962 (E_RNA) where: Base-Base interactions energy: -485.736 where: short stacking energy: -205.925 Base-Backbone interact. energy: 0.140 local terms energy: -251.467771 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -57.714 flat angles C4'-P-C4' energy: -53.906 flat angles P-C4'-P energy: -31.351 tors. eta vs tors. theta energy: -46.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -718.327111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.327111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.327111 (E_RNA) where: Base-Base interactions energy: -478.674 where: short stacking energy: -221.011 Base-Backbone interact. energy: -0.653 local terms energy: -238.999951 where: bonds (distance) C4'-P energy: -52.835 bonds (distance) P-C4' energy: -50.291 flat angles C4'-P-C4' energy: -59.352 flat angles P-C4'-P energy: -27.202 tors. eta vs tors. theta energy: -49.319 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: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -489.098268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.098268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.098268 (E_RNA) where: Base-Base interactions energy: -297.550 where: short stacking energy: -143.935 Base-Backbone interact. energy: 2.011 local terms energy: -193.560093 where: bonds (distance) C4'-P energy: -57.607 bonds (distance) P-C4' energy: -45.785 flat angles C4'-P-C4' energy: -48.620 flat angles P-C4'-P energy: -23.722 tors. eta vs tors. theta energy: -17.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1152.061752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.061752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.061752 (E_RNA) where: Base-Base interactions energy: -810.908 where: short stacking energy: -349.232 Base-Backbone interact. energy: 1.161 local terms energy: -342.315470 where: bonds (distance) C4'-P energy: -63.335 bonds (distance) P-C4' energy: -62.670 flat angles C4'-P-C4' energy: -68.089 flat angles P-C4'-P energy: -50.988 tors. eta vs tors. theta energy: -97.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1125.418726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.418726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.418726 (E_RNA) where: Base-Base interactions energy: -775.223 where: short stacking energy: -343.096 Base-Backbone interact. energy: -1.262 local terms energy: -348.933590 where: bonds (distance) C4'-P energy: -68.714 bonds (distance) P-C4' energy: -57.097 flat angles C4'-P-C4' energy: -80.226 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -95.646 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: 327 Temperature: 1.000000 Total energy: -1035.883386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.883386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.883386 (E_RNA) where: Base-Base interactions energy: -732.477 where: short stacking energy: -305.216 Base-Backbone interact. energy: -1.231 local terms energy: -302.176052 where: bonds (distance) C4'-P energy: -54.404 bonds (distance) P-C4' energy: -54.105 flat angles C4'-P-C4' energy: -70.588 flat angles P-C4'-P energy: -47.377 tors. eta vs tors. theta energy: -75.702 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: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1018.099811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.099811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.099811 (E_RNA) where: Base-Base interactions energy: -698.440 where: short stacking energy: -318.667 Base-Backbone interact. energy: -1.114 local terms energy: -318.546410 where: bonds (distance) C4'-P energy: -53.516 bonds (distance) P-C4' energy: -64.527 flat angles C4'-P-C4' energy: -69.941 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -88.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -951.716976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.716976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.716976 (E_RNA) where: Base-Base interactions energy: -668.219 where: short stacking energy: -283.289 Base-Backbone interact. energy: 0.937 local terms energy: -284.435478 where: bonds (distance) C4'-P energy: -66.331 bonds (distance) P-C4' energy: -56.703 flat angles C4'-P-C4' energy: -58.490 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: -75.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -946.034308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.034308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.034308 (E_RNA) where: Base-Base interactions energy: -656.886 where: short stacking energy: -299.296 Base-Backbone interact. energy: -0.780 local terms energy: -288.367502 where: bonds (distance) C4'-P energy: -51.040 bonds (distance) P-C4' energy: -57.358 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -36.690 tors. eta vs tors. theta energy: -75.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -854.632623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.632623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.632623 (E_RNA) where: Base-Base interactions energy: -575.021 where: short stacking energy: -259.137 Base-Backbone interact. energy: -1.446 local terms energy: -278.165224 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -66.712 flat angles C4'-P-C4' energy: -53.122 flat angles P-C4'-P energy: -34.697 tors. eta vs tors. theta energy: -71.431 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: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -731.610015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.610015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.610015 (E_RNA) where: Base-Base interactions energy: -479.063 where: short stacking energy: -223.365 Base-Backbone interact. energy: 6.072 local terms energy: -258.618868 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -61.235 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -32.047 tors. eta vs tors. theta energy: -48.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -680.639313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.639313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.639313 (E_RNA) where: Base-Base interactions energy: -439.416 where: short stacking energy: -207.652 Base-Backbone interact. energy: 0.276 local terms energy: -241.499830 where: bonds (distance) C4'-P energy: -51.188 bonds (distance) P-C4' energy: -65.398 flat angles C4'-P-C4' energy: -51.615 flat angles P-C4'-P energy: -37.163 tors. eta vs tors. theta energy: -36.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -493.593220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.593220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.593220 (E_RNA) where: Base-Base interactions energy: -303.608 where: short stacking energy: -156.347 Base-Backbone interact. energy: -0.397 local terms energy: -189.588290 where: bonds (distance) C4'-P energy: -44.802 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -47.572 flat angles P-C4'-P energy: -22.841 tors. eta vs tors. theta energy: -17.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1159.519960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.519960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.519960 (E_RNA) where: Base-Base interactions energy: -808.263 where: short stacking energy: -355.836 Base-Backbone interact. energy: -1.587 local terms energy: -349.669322 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -79.839 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -100.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1122.058695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.058695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.058695 (E_RNA) where: Base-Base interactions energy: -766.140 where: short stacking energy: -345.001 Base-Backbone interact. energy: -0.918 local terms energy: -355.001088 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -64.918 flat angles C4'-P-C4' energy: -73.619 flat angles P-C4'-P energy: -51.545 tors. eta vs tors. theta energy: -101.713 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: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1051.941373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.941373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.941373 (E_RNA) where: Base-Base interactions energy: -727.599 where: short stacking energy: -327.149 Base-Backbone interact. energy: -0.430 local terms energy: -323.913073 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -57.877 flat angles C4'-P-C4' energy: -74.397 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -93.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1019.354526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.354526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.354526 (E_RNA) where: Base-Base interactions energy: -698.956 where: short stacking energy: -302.706 Base-Backbone interact. energy: -0.698 local terms energy: -319.700405 where: bonds (distance) C4'-P energy: -61.338 bonds (distance) P-C4' energy: -53.476 flat angles C4'-P-C4' energy: -71.788 flat angles P-C4'-P energy: -50.122 tors. eta vs tors. theta energy: -82.977 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: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -970.583593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.583593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.583593 (E_RNA) where: Base-Base interactions energy: -660.117 where: short stacking energy: -299.401 Base-Backbone interact. energy: -0.618 local terms energy: -309.848244 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -68.589 flat angles C4'-P-C4' energy: -62.802 flat angles P-C4'-P energy: -39.701 tors. eta vs tors. theta energy: -77.989 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: 328 Temperature: 1.150000 Total energy: -921.485375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.485375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.485375 (E_RNA) where: Base-Base interactions energy: -631.315 where: short stacking energy: -294.317 Base-Backbone interact. energy: -0.429 local terms energy: -289.741459 where: bonds (distance) C4'-P energy: -52.474 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -62.680 flat angles P-C4'-P energy: -30.339 tors. eta vs tors. theta energy: -83.010 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: 328 Temperature: 1.200000 Total energy: -834.779049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.779049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.779049 (E_RNA) where: Base-Base interactions energy: -564.612 where: short stacking energy: -256.226 Base-Backbone interact. energy: -0.653 local terms energy: -269.513533 where: bonds (distance) C4'-P energy: -46.474 bonds (distance) P-C4' energy: -43.201 flat angles C4'-P-C4' energy: -65.570 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -71.307 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: 8, replica: 8 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -723.217718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.217718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.217718 (E_RNA) where: Base-Base interactions energy: -492.231 where: short stacking energy: -212.115 Base-Backbone interact. energy: -1.291 local terms energy: -229.695667 where: bonds (distance) C4'-P energy: -63.036 bonds (distance) P-C4' energy: -54.173 flat angles C4'-P-C4' energy: -57.201 flat angles P-C4'-P energy: -19.745 tors. eta vs tors. theta energy: -35.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -639.901475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.901475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.901475 (E_RNA) where: Base-Base interactions energy: -408.724 where: short stacking energy: -184.937 Base-Backbone interact. energy: -1.149 local terms energy: -230.029005 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -51.899 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -34.694 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: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -509.754306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.754306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.754306 (E_RNA) where: Base-Base interactions energy: -301.856 where: short stacking energy: -141.839 Base-Backbone interact. energy: -2.604 local terms energy: -205.294852 where: bonds (distance) C4'-P energy: -43.189 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -45.192 flat angles P-C4'-P energy: -29.025 tors. eta vs tors. theta energy: -27.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1151.521317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.521317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.521317 (E_RNA) where: Base-Base interactions energy: -808.818 where: short stacking energy: -346.446 Base-Backbone interact. energy: -1.437 local terms energy: -341.266847 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -66.586 flat angles C4'-P-C4' energy: -75.077 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -95.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1131.576107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.576107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.576107 (E_RNA) where: Base-Base interactions energy: -802.806 where: short stacking energy: -331.705 Base-Backbone interact. energy: -2.945 local terms energy: -325.824792 where: bonds (distance) C4'-P energy: -52.896 bonds (distance) P-C4' energy: -63.153 flat angles C4'-P-C4' energy: -76.273 flat angles P-C4'-P energy: -40.422 tors. eta vs tors. theta energy: -93.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1056.427813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.427813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.427813 (E_RNA) where: Base-Base interactions energy: -728.968 where: short stacking energy: -323.790 Base-Backbone interact. energy: -0.469 local terms energy: -326.990522 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -66.163 flat angles P-C4'-P energy: -43.936 tors. eta vs tors. theta energy: -93.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -989.127570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.127570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.127570 (E_RNA) where: Base-Base interactions energy: -697.197 where: short stacking energy: -307.174 Base-Backbone interact. energy: 2.048 local terms energy: -293.977853 where: bonds (distance) C4'-P energy: -55.091 bonds (distance) P-C4' energy: -54.196 flat angles C4'-P-C4' energy: -67.262 flat angles P-C4'-P energy: -36.274 tors. eta vs tors. theta energy: -81.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -981.895779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.895779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.895779 (E_RNA) where: Base-Base interactions energy: -683.662 where: short stacking energy: -314.867 Base-Backbone interact. energy: -0.870 local terms energy: -297.364466 where: bonds (distance) C4'-P energy: -54.179 bonds (distance) P-C4' energy: -56.044 flat angles C4'-P-C4' energy: -66.363 flat angles P-C4'-P energy: -36.510 tors. eta vs tors. theta energy: -84.268 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: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -923.429405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.429405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.429405 (E_RNA) where: Base-Base interactions energy: -624.927 where: short stacking energy: -289.553 Base-Backbone interact. energy: -1.266 local terms energy: -297.235926 where: bonds (distance) C4'-P energy: -52.375 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -83.384 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: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -830.915498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.915498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.915498 (E_RNA) where: Base-Base interactions energy: -563.521 where: short stacking energy: -257.828 Base-Backbone interact. energy: -0.718 local terms energy: -266.676940 where: bonds (distance) C4'-P energy: -39.377 bonds (distance) P-C4' energy: -46.733 flat angles C4'-P-C4' energy: -65.761 flat angles P-C4'-P energy: -47.660 tors. eta vs tors. theta energy: -67.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -731.575215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.575215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.575215 (E_RNA) where: Base-Base interactions energy: -490.379 where: short stacking energy: -213.583 Base-Backbone interact. energy: 1.681 local terms energy: -242.877115 where: bonds (distance) C4'-P energy: -48.455 bonds (distance) P-C4' energy: -55.599 flat angles C4'-P-C4' energy: -62.058 flat angles P-C4'-P energy: -41.312 tors. eta vs tors. theta energy: -35.453 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: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -628.684146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.684146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.684146 (E_RNA) where: Base-Base interactions energy: -397.444 where: short stacking energy: -173.806 Base-Backbone interact. energy: -1.866 local terms energy: -229.373451 where: bonds (distance) C4'-P energy: -62.626 bonds (distance) P-C4' energy: -50.734 flat angles C4'-P-C4' energy: -44.392 flat angles P-C4'-P energy: -36.269 tors. eta vs tors. theta energy: -35.353 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: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -505.494764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.494764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.494764 (E_RNA) where: Base-Base interactions energy: -323.039 where: short stacking energy: -165.141 Base-Backbone interact. energy: 2.744 local terms energy: -185.199903 where: bonds (distance) C4'-P energy: -55.183 bonds (distance) P-C4' energy: -39.888 flat angles C4'-P-C4' energy: -51.141 flat angles P-C4'-P energy: -19.427 tors. eta vs tors. theta energy: -19.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1153.636434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.636434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.636434 (E_RNA) where: Base-Base interactions energy: -817.773 where: short stacking energy: -349.573 Base-Backbone interact. energy: -0.639 local terms energy: -335.223888 where: bonds (distance) C4'-P energy: -68.457 bonds (distance) P-C4' energy: -63.307 flat angles C4'-P-C4' energy: -75.759 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -87.479 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: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1120.872080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.872080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.872080 (E_RNA) where: Base-Base interactions energy: -778.995 where: short stacking energy: -341.134 Base-Backbone interact. energy: -2.276 local terms energy: -339.600637 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -73.402 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -92.189 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: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1064.642385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.642385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.642385 (E_RNA) where: Base-Base interactions energy: -723.711 where: short stacking energy: -337.349 Base-Backbone interact. energy: -0.275 local terms energy: -340.657126 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -74.833 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -99.626 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: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -988.683494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.683494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.683494 (E_RNA) where: Base-Base interactions energy: -688.617 where: short stacking energy: -297.393 Base-Backbone interact. energy: 0.577 local terms energy: -300.643610 where: bonds (distance) C4'-P energy: -50.723 bonds (distance) P-C4' energy: -58.020 flat angles C4'-P-C4' energy: -69.169 flat angles P-C4'-P energy: -46.130 tors. eta vs tors. theta energy: -76.602 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: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1010.159897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.159897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.159897 (E_RNA) where: Base-Base interactions energy: -690.502 where: short stacking energy: -308.786 Base-Backbone interact. energy: -0.439 local terms energy: -319.218811 where: bonds (distance) C4'-P energy: -53.395 bonds (distance) P-C4' energy: -58.754 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -83.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -924.288941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.288941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.288941 (E_RNA) where: Base-Base interactions energy: -636.500 where: short stacking energy: -283.519 Base-Backbone interact. energy: -1.032 local terms energy: -286.757196 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -56.259 flat angles C4'-P-C4' energy: -65.682 flat angles P-C4'-P energy: -29.846 tors. eta vs tors. theta energy: -76.974 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -802.171828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.171828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.171828 (E_RNA) where: Base-Base interactions energy: -531.988 where: short stacking energy: -268.643 Base-Backbone interact. energy: -0.850 local terms energy: -269.334144 where: bonds (distance) C4'-P energy: -65.474 bonds (distance) P-C4' energy: -43.034 flat angles C4'-P-C4' energy: -57.757 flat angles P-C4'-P energy: -34.797 tors. eta vs tors. theta energy: -68.273 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: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -714.236037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.236037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.236037 (E_RNA) where: Base-Base interactions energy: -451.778 where: short stacking energy: -188.236 Base-Backbone interact. energy: 1.663 local terms energy: -264.120909 where: bonds (distance) C4'-P energy: -64.536 bonds (distance) P-C4' energy: -67.394 flat angles C4'-P-C4' energy: -53.225 flat angles P-C4'-P energy: -43.219 tors. eta vs tors. theta energy: -35.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -640.104451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.104451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.104451 (E_RNA) where: Base-Base interactions energy: -408.263 where: short stacking energy: -168.620 Base-Backbone interact. energy: 3.099 local terms energy: -234.940072 where: bonds (distance) C4'-P energy: -49.193 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -45.742 flat angles P-C4'-P energy: -44.437 tors. eta vs tors. theta energy: -29.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -503.455441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.455441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.455441 (E_RNA) where: Base-Base interactions energy: -324.033 where: short stacking energy: -129.808 Base-Backbone interact. energy: 7.768 local terms energy: -187.190348 where: bonds (distance) C4'-P energy: -41.177 bonds (distance) P-C4' energy: -55.622 flat angles C4'-P-C4' energy: -55.253 flat angles P-C4'-P energy: -25.519 tors. eta vs tors. theta energy: -9.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1156.144182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.144182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.144182 (E_RNA) where: Base-Base interactions energy: -821.537 where: short stacking energy: -363.479 Base-Backbone interact. energy: -1.106 local terms energy: -333.501777 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -62.288 flat angles C4'-P-C4' energy: -68.502 flat angles P-C4'-P energy: -50.180 tors. eta vs tors. theta energy: -91.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1138.114927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.114927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.114927 (E_RNA) where: Base-Base interactions energy: -785.297 where: short stacking energy: -326.388 Base-Backbone interact. energy: -2.835 local terms energy: -349.982721 where: bonds (distance) C4'-P energy: -66.158 bonds (distance) P-C4' energy: -70.746 flat angles C4'-P-C4' energy: -74.015 flat angles P-C4'-P energy: -43.868 tors. eta vs tors. theta energy: -95.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1044.589844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.589844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.589844 (E_RNA) where: Base-Base interactions energy: -713.170 where: short stacking energy: -333.307 Base-Backbone interact. energy: 0.067 local terms energy: -331.487483 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -67.291 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -89.234 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: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1036.091308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.091308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.091308 (E_RNA) where: Base-Base interactions energy: -697.731 where: short stacking energy: -328.120 Base-Backbone interact. energy: -1.135 local terms energy: -337.224982 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -58.901 flat angles C4'-P-C4' energy: -69.364 flat angles P-C4'-P energy: -46.502 tors. eta vs tors. theta energy: -94.018 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: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -960.853942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.853942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.853942 (E_RNA) where: Base-Base interactions energy: -667.391 where: short stacking energy: -284.977 Base-Backbone interact. energy: -1.221 local terms energy: -292.241604 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -37.850 tors. eta vs tors. theta energy: -70.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -955.173077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.173077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.173077 (E_RNA) where: Base-Base interactions energy: -656.418 where: short stacking energy: -281.971 Base-Backbone interact. energy: -0.108 local terms energy: -298.646943 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -52.207 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -43.501 tors. eta vs tors. theta energy: -78.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -778.939863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.939863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.939863 (E_RNA) where: Base-Base interactions energy: -499.573 where: short stacking energy: -227.289 Base-Backbone interact. energy: -1.735 local terms energy: -277.631847 where: bonds (distance) C4'-P energy: -57.067 bonds (distance) P-C4' energy: -64.649 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -31.279 tors. eta vs tors. theta energy: -58.983 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -711.474897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.474897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.474897 (E_RNA) where: Base-Base interactions energy: -474.794 where: short stacking energy: -207.422 Base-Backbone interact. energy: 0.739 local terms energy: -237.420008 where: bonds (distance) C4'-P energy: -46.131 bonds (distance) P-C4' energy: -54.788 flat angles C4'-P-C4' energy: -57.373 flat angles P-C4'-P energy: -38.687 tors. eta vs tors. theta energy: -40.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -658.360123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.360123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.360123 (E_RNA) where: Base-Base interactions energy: -423.026 where: short stacking energy: -193.089 Base-Backbone interact. energy: -0.851 local terms energy: -234.483614 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -52.877 flat angles P-C4'-P energy: -23.667 tors. eta vs tors. theta energy: -39.632 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: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -542.205856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.205856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.205856 (E_RNA) where: Base-Base interactions energy: -329.434 where: short stacking energy: -133.646 Base-Backbone interact. energy: -1.468 local terms energy: -211.303908 where: bonds (distance) C4'-P energy: -53.930 bonds (distance) P-C4' energy: -64.568 flat angles C4'-P-C4' energy: -41.820 flat angles P-C4'-P energy: -35.032 tors. eta vs tors. theta energy: -15.954 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: 332 Temperature: 0.900000 Total energy: -1160.218001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.218001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.218001 (E_RNA) where: Base-Base interactions energy: -799.490 where: short stacking energy: -355.238 Base-Backbone interact. energy: -2.042 local terms energy: -358.685688 where: bonds (distance) C4'-P energy: -66.857 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -76.212 flat angles P-C4'-P energy: -58.814 tors. eta vs tors. theta energy: -92.685 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: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1123.781048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.781048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.781048 (E_RNA) where: Base-Base interactions energy: -788.372 where: short stacking energy: -327.106 Base-Backbone interact. energy: -1.668 local terms energy: -333.741114 where: bonds (distance) C4'-P energy: -61.390 bonds (distance) P-C4' energy: -62.146 flat angles C4'-P-C4' energy: -74.952 flat angles P-C4'-P energy: -42.682 tors. eta vs tors. theta energy: -92.572 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: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1055.568373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.568373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.568373 (E_RNA) where: Base-Base interactions energy: -731.329 where: short stacking energy: -339.817 Base-Backbone interact. energy: -0.970 local terms energy: -323.269018 where: bonds (distance) C4'-P energy: -53.387 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -66.688 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -91.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1022.953720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.953720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.953720 (E_RNA) where: Base-Base interactions energy: -703.951 where: short stacking energy: -315.407 Base-Backbone interact. energy: 1.060 local terms energy: -320.062556 where: bonds (distance) C4'-P energy: -58.106 bonds (distance) P-C4' energy: -64.588 flat angles C4'-P-C4' energy: -68.109 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -88.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -968.288737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.288737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.288737 (E_RNA) where: Base-Base interactions energy: -666.746 where: short stacking energy: -302.789 Base-Backbone interact. energy: -0.583 local terms energy: -300.959378 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -52.579 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: -80.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -936.601616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.601616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.601616 (E_RNA) where: Base-Base interactions energy: -640.169 where: short stacking energy: -264.399 Base-Backbone interact. energy: -1.255 local terms energy: -295.177345 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -71.544 flat angles P-C4'-P energy: -38.524 tors. eta vs tors. theta energy: -66.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -791.640362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.640362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.640362 (E_RNA) where: Base-Base interactions energy: -531.158 where: short stacking energy: -236.830 Base-Backbone interact. energy: -0.849 local terms energy: -259.633270 where: bonds (distance) C4'-P energy: -68.181 bonds (distance) P-C4' energy: -48.448 flat angles C4'-P-C4' energy: -60.967 flat angles P-C4'-P energy: -28.535 tors. eta vs tors. theta energy: -53.503 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: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -768.195391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.195391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.195391 (E_RNA) where: Base-Base interactions energy: -506.527 where: short stacking energy: -228.136 Base-Backbone interact. energy: -1.537 local terms energy: -260.131600 where: bonds (distance) C4'-P energy: -53.605 bonds (distance) P-C4' energy: -53.150 flat angles C4'-P-C4' energy: -63.285 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -46.776 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: 332 Temperature: 1.300000 Total energy: -632.959112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.959112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.959112 (E_RNA) where: Base-Base interactions energy: -425.451 where: short stacking energy: -192.737 Base-Backbone interact. energy: -1.254 local terms energy: -206.254440 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -55.518 flat angles C4'-P-C4' energy: -34.756 flat angles P-C4'-P energy: -17.808 tors. eta vs tors. theta energy: -41.704 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: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -529.888061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.888061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.888061 (E_RNA) where: Base-Base interactions energy: -334.721 where: short stacking energy: -171.748 Base-Backbone interact. energy: 2.230 local terms energy: -197.397774 where: bonds (distance) C4'-P energy: -36.988 bonds (distance) P-C4' energy: -52.038 flat angles C4'-P-C4' energy: -48.983 flat angles P-C4'-P energy: -24.417 tors. eta vs tors. theta energy: -34.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1151.016607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.016607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.016607 (E_RNA) where: Base-Base interactions energy: -802.600 where: short stacking energy: -361.035 Base-Backbone interact. energy: -2.140 local terms energy: -346.276575 where: bonds (distance) C4'-P energy: -68.152 bonds (distance) P-C4' energy: -64.123 flat angles C4'-P-C4' energy: -69.596 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -94.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1093.731378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.731378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.731378 (E_RNA) where: Base-Base interactions energy: -783.606 where: short stacking energy: -309.891 Base-Backbone interact. energy: 0.186 local terms energy: -310.311575 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -65.996 flat angles C4'-P-C4' energy: -66.434 flat angles P-C4'-P energy: -35.756 tors. eta vs tors. theta energy: -83.304 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: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1046.477973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.477973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.477973 (E_RNA) where: Base-Base interactions energy: -716.083 where: short stacking energy: -314.193 Base-Backbone interact. energy: 1.688 local terms energy: -332.082390 where: bonds (distance) C4'-P energy: -59.447 bonds (distance) P-C4' energy: -65.042 flat angles C4'-P-C4' energy: -60.115 flat angles P-C4'-P energy: -52.790 tors. eta vs tors. theta energy: -94.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1017.937810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.937810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.937810 (E_RNA) where: Base-Base interactions energy: -694.056 where: short stacking energy: -326.169 Base-Backbone interact. energy: -0.619 local terms energy: -323.262827 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -66.484 flat angles P-C4'-P energy: -43.105 tors. eta vs tors. theta energy: -86.680 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: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -975.452526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.452526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.452526 (E_RNA) where: Base-Base interactions energy: -656.707 where: short stacking energy: -294.535 Base-Backbone interact. energy: -0.900 local terms energy: -317.845671 where: bonds (distance) C4'-P energy: -57.697 bonds (distance) P-C4' energy: -60.478 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -83.149 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: 333 Temperature: 1.150000 Total energy: -947.998228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.998228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.998228 (E_RNA) where: Base-Base interactions energy: -646.728 where: short stacking energy: -281.003 Base-Backbone interact. energy: -2.153 local terms energy: -299.117680 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -47.642 flat angles C4'-P-C4' energy: -72.921 flat angles P-C4'-P energy: -39.693 tors. eta vs tors. theta energy: -79.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -800.478342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.478342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.478342 (E_RNA) where: Base-Base interactions energy: -533.128 where: short stacking energy: -253.041 Base-Backbone interact. energy: -0.330 local terms energy: -267.020316 where: bonds (distance) C4'-P energy: -56.467 bonds (distance) P-C4' energy: -55.740 flat angles C4'-P-C4' energy: -58.085 flat angles P-C4'-P energy: -37.965 tors. eta vs tors. theta energy: -58.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -720.406046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.406046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.406046 (E_RNA) where: Base-Base interactions energy: -470.820 where: short stacking energy: -210.166 Base-Backbone interact. energy: -0.624 local terms energy: -248.961597 where: bonds (distance) C4'-P energy: -66.315 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -53.197 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: -41.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -610.309653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.309653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.309653 (E_RNA) where: Base-Base interactions energy: -383.095 where: short stacking energy: -171.794 Base-Backbone interact. energy: 3.122 local terms energy: -230.336547 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -56.109 flat angles C4'-P-C4' energy: -54.644 flat angles P-C4'-P energy: -32.892 tors. eta vs tors. theta energy: -26.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -583.627197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.627197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.627197 (E_RNA) where: Base-Base interactions energy: -391.837 where: short stacking energy: -183.840 Base-Backbone interact. energy: 0.291 local terms energy: -192.080916 where: bonds (distance) C4'-P energy: -40.091 bonds (distance) P-C4' energy: -39.859 flat angles C4'-P-C4' energy: -53.128 flat angles P-C4'-P energy: -32.781 tors. eta vs tors. theta energy: -26.223 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: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1149.880506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.880506 (E_RNA) where: Base-Base interactions energy: -812.203 where: short stacking energy: -362.337 Base-Backbone interact. energy: -0.830 local terms energy: -336.847843 where: bonds (distance) C4'-P energy: -54.733 bonds (distance) P-C4' energy: -63.899 flat angles C4'-P-C4' energy: -74.604 flat angles P-C4'-P energy: -45.095 tors. eta vs tors. theta energy: -98.516 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: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1099.655419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.655419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.655419 (E_RNA) where: Base-Base interactions energy: -774.445 where: short stacking energy: -298.813 Base-Backbone interact. energy: -1.636 local terms energy: -323.574092 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -67.481 flat angles C4'-P-C4' energy: -63.373 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: -78.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1060.401931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.401931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.401931 (E_RNA) where: Base-Base interactions energy: -746.348 where: short stacking energy: -338.979 Base-Backbone interact. energy: 0.306 local terms energy: -314.360267 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -52.378 flat angles C4'-P-C4' energy: -67.796 flat angles P-C4'-P energy: -40.374 tors. eta vs tors. theta energy: -93.251 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: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1021.650961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.650961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.650961 (E_RNA) where: Base-Base interactions energy: -715.337 where: short stacking energy: -330.116 Base-Backbone interact. energy: -0.445 local terms energy: -305.869581 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -52.311 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -90.961 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: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -944.273708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.273708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.273708 (E_RNA) where: Base-Base interactions energy: -665.857 where: short stacking energy: -276.578 Base-Backbone interact. energy: -2.989 local terms energy: -275.427582 where: bonds (distance) C4'-P energy: -46.171 bonds (distance) P-C4' energy: -64.446 flat angles C4'-P-C4' energy: -65.739 flat angles P-C4'-P energy: -34.143 tors. eta vs tors. theta energy: -64.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -949.956224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.956224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.956224 (E_RNA) where: Base-Base interactions energy: -642.118 where: short stacking energy: -288.982 Base-Backbone interact. energy: 0.134 local terms energy: -307.972558 where: bonds (distance) C4'-P energy: -54.028 bonds (distance) P-C4' energy: -64.168 flat angles C4'-P-C4' energy: -67.779 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -76.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -826.913775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.913775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.913775 (E_RNA) where: Base-Base interactions energy: -561.497 where: short stacking energy: -248.271 Base-Backbone interact. energy: -1.068 local terms energy: -264.348990 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -56.850 flat angles C4'-P-C4' energy: -64.768 flat angles P-C4'-P energy: -34.278 tors. eta vs tors. theta energy: -59.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -714.436701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.436701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.436701 (E_RNA) where: Base-Base interactions energy: -485.682 where: short stacking energy: -212.439 Base-Backbone interact. energy: 0.380 local terms energy: -229.135033 where: bonds (distance) C4'-P energy: -40.278 bonds (distance) P-C4' energy: -60.139 flat angles C4'-P-C4' energy: -53.355 flat angles P-C4'-P energy: -35.321 tors. eta vs tors. theta energy: -40.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -591.543699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.543699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.543699 (E_RNA) where: Base-Base interactions energy: -396.040 where: short stacking energy: -185.002 Base-Backbone interact. energy: -1.212 local terms energy: -194.291537 where: bonds (distance) C4'-P energy: -44.045 bonds (distance) P-C4' energy: -55.654 flat angles C4'-P-C4' energy: -41.570 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: -18.204 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: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -604.047780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.047780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.047780 (E_RNA) where: Base-Base interactions energy: -372.388 where: short stacking energy: -174.920 Base-Backbone interact. energy: -1.615 local terms energy: -230.044747 where: bonds (distance) C4'-P energy: -55.911 bonds (distance) P-C4' energy: -55.793 flat angles C4'-P-C4' energy: -53.244 flat angles P-C4'-P energy: -36.576 tors. eta vs tors. theta energy: -28.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1154.507119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.507119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.507119 (E_RNA) where: Base-Base interactions energy: -823.124 where: short stacking energy: -361.639 Base-Backbone interact. energy: 0.423 local terms energy: -331.806013 where: bonds (distance) C4'-P energy: -52.997 bonds (distance) P-C4' energy: -62.228 flat angles C4'-P-C4' energy: -72.913 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -97.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1098.995184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.995184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.995184 (E_RNA) where: Base-Base interactions energy: -755.145 where: short stacking energy: -336.341 Base-Backbone interact. energy: -0.623 local terms energy: -343.227759 where: bonds (distance) C4'-P energy: -59.069 bonds (distance) P-C4' energy: -64.865 flat angles C4'-P-C4' energy: -72.472 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -97.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1068.940311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.940311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.940311 (E_RNA) where: Base-Base interactions energy: -761.025 where: short stacking energy: -318.318 Base-Backbone interact. energy: -0.886 local terms energy: -307.028612 where: bonds (distance) C4'-P energy: -53.962 bonds (distance) P-C4' energy: -61.840 flat angles C4'-P-C4' energy: -73.243 flat angles P-C4'-P energy: -38.806 tors. eta vs tors. theta energy: -79.178 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: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1028.708557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.708557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.708557 (E_RNA) where: Base-Base interactions energy: -695.394 where: short stacking energy: -327.214 Base-Backbone interact. energy: -1.413 local terms energy: -331.901899 where: bonds (distance) C4'-P energy: -55.559 bonds (distance) P-C4' energy: -65.766 flat angles C4'-P-C4' energy: -73.139 flat angles P-C4'-P energy: -47.647 tors. eta vs tors. theta energy: -89.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -946.467547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.467547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.467547 (E_RNA) where: Base-Base interactions energy: -658.755 where: short stacking energy: -279.190 Base-Backbone interact. energy: -1.514 local terms energy: -286.198623 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -66.491 flat angles C4'-P-C4' energy: -63.418 flat angles P-C4'-P energy: -27.505 tors. eta vs tors. theta energy: -72.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -930.400881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.400881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.400881 (E_RNA) where: Base-Base interactions energy: -650.764 where: short stacking energy: -291.807 Base-Backbone interact. energy: -1.360 local terms energy: -278.276874 where: bonds (distance) C4'-P energy: -54.150 bonds (distance) P-C4' energy: -47.988 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -44.833 tors. eta vs tors. theta energy: -66.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -834.783757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.783757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.783757 (E_RNA) where: Base-Base interactions energy: -575.612 where: short stacking energy: -265.451 Base-Backbone interact. energy: -1.346 local terms energy: -257.825214 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -42.888 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -34.490 tors. eta vs tors. theta energy: -59.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -727.132961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.132961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.132961 (E_RNA) where: Base-Base interactions energy: -484.017 where: short stacking energy: -213.406 Base-Backbone interact. energy: 0.405 local terms energy: -243.520555 where: bonds (distance) C4'-P energy: -44.782 bonds (distance) P-C4' energy: -60.771 flat angles C4'-P-C4' energy: -63.575 flat angles P-C4'-P energy: -24.295 tors. eta vs tors. theta energy: -50.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -707.186957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.186957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.186957 (E_RNA) where: Base-Base interactions energy: -463.563 where: short stacking energy: -215.159 Base-Backbone interact. energy: -0.931 local terms energy: -242.692592 where: bonds (distance) C4'-P energy: -46.760 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -50.966 flat angles P-C4'-P energy: -38.567 tors. eta vs tors. theta energy: -46.598 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: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -580.141080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.141080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.141080 (E_RNA) where: Base-Base interactions energy: -370.291 where: short stacking energy: -177.635 Base-Backbone interact. energy: -1.068 local terms energy: -208.781620 where: bonds (distance) C4'-P energy: -52.847 bonds (distance) P-C4' energy: -51.642 flat angles C4'-P-C4' energy: -50.741 flat angles P-C4'-P energy: -32.113 tors. eta vs tors. theta energy: -21.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1154.567878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.567878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.567878 (E_RNA) where: Base-Base interactions energy: -825.081 where: short stacking energy: -361.837 Base-Backbone interact. energy: -1.739 local terms energy: -327.747989 where: bonds (distance) C4'-P energy: -66.048 bonds (distance) P-C4' energy: -54.714 flat angles C4'-P-C4' energy: -67.127 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -101.624 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: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1084.892230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.892230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.892230 (E_RNA) where: Base-Base interactions energy: -748.891 where: short stacking energy: -320.312 Base-Backbone interact. energy: -1.647 local terms energy: -334.354104 where: bonds (distance) C4'-P energy: -61.524 bonds (distance) P-C4' energy: -62.039 flat angles C4'-P-C4' energy: -66.724 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -94.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1064.747521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.747521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.747521 (E_RNA) where: Base-Base interactions energy: -738.614 where: short stacking energy: -318.208 Base-Backbone interact. energy: 1.966 local terms energy: -328.099505 where: bonds (distance) C4'-P energy: -62.919 bonds (distance) P-C4' energy: -59.682 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -92.554 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: 336 Temperature: 1.050000 Total energy: -1022.230155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.230155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.230155 (E_RNA) where: Base-Base interactions energy: -693.248 where: short stacking energy: -319.321 Base-Backbone interact. energy: 1.468 local terms energy: -330.450381 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -70.584 flat angles C4'-P-C4' energy: -62.631 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -89.464 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: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -965.482979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.482979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.482979 (E_RNA) where: Base-Base interactions energy: -656.342 where: short stacking energy: -287.264 Base-Backbone interact. energy: -1.324 local terms energy: -307.817489 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -67.733 flat angles C4'-P-C4' energy: -70.239 flat angles P-C4'-P energy: -34.203 tors. eta vs tors. theta energy: -77.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -939.333424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.333424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.333424 (E_RNA) where: Base-Base interactions energy: -636.168 where: short stacking energy: -285.772 Base-Backbone interact. energy: -1.228 local terms energy: -301.937644 where: bonds (distance) C4'-P energy: -54.734 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -68.807 flat angles P-C4'-P energy: -43.036 tors. eta vs tors. theta energy: -74.500 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: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -790.355221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.355221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.355221 (E_RNA) where: Base-Base interactions energy: -527.321 where: short stacking energy: -229.512 Base-Backbone interact. energy: -0.406 local terms energy: -262.627697 where: bonds (distance) C4'-P energy: -59.325 bonds (distance) P-C4' energy: -54.158 flat angles C4'-P-C4' energy: -64.278 flat angles P-C4'-P energy: -37.299 tors. eta vs tors. theta energy: -47.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -713.008695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.008695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.008695 (E_RNA) where: Base-Base interactions energy: -460.350 where: short stacking energy: -213.756 Base-Backbone interact. energy: 1.825 local terms energy: -254.483522 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -52.363 flat angles C4'-P-C4' energy: -57.060 flat angles P-C4'-P energy: -41.748 tors. eta vs tors. theta energy: -42.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -683.683497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.683497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.683497 (E_RNA) where: Base-Base interactions energy: -453.401 where: short stacking energy: -203.016 Base-Backbone interact. energy: -0.600 local terms energy: -229.682056 where: bonds (distance) C4'-P energy: -45.323 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -46.954 flat angles P-C4'-P energy: -42.214 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: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -567.453795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.453795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.453795 (E_RNA) where: Base-Base interactions energy: -352.208 where: short stacking energy: -162.821 Base-Backbone interact. energy: -0.883 local terms energy: -214.362782 where: bonds (distance) C4'-P energy: -51.264 bonds (distance) P-C4' energy: -50.732 flat angles C4'-P-C4' energy: -50.691 flat angles P-C4'-P energy: -32.215 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: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1166.712419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.712419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.712419 (E_RNA) where: Base-Base interactions energy: -806.089 where: short stacking energy: -351.639 Base-Backbone interact. energy: -1.649 local terms energy: -358.974647 where: bonds (distance) C4'-P energy: -70.152 bonds (distance) P-C4' energy: -60.278 flat angles C4'-P-C4' energy: -73.779 flat angles P-C4'-P energy: -56.467 tors. eta vs tors. theta energy: -98.299 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: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1095.167290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.167290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.167290 (E_RNA) where: Base-Base interactions energy: -744.626 where: short stacking energy: -320.161 Base-Backbone interact. energy: -0.492 local terms energy: -350.048691 where: bonds (distance) C4'-P energy: -63.165 bonds (distance) P-C4' energy: -68.955 flat angles C4'-P-C4' energy: -72.228 flat angles P-C4'-P energy: -50.994 tors. eta vs tors. theta energy: -94.706 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: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1059.310386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.310386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.310386 (E_RNA) where: Base-Base interactions energy: -746.263 where: short stacking energy: -321.269 Base-Backbone interact. energy: -1.814 local terms energy: -311.233806 where: bonds (distance) C4'-P energy: -59.662 bonds (distance) P-C4' energy: -57.299 flat angles C4'-P-C4' energy: -69.616 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: -83.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -981.194804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.194804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.194804 (E_RNA) where: Base-Base interactions energy: -667.328 where: short stacking energy: -290.470 Base-Backbone interact. energy: -0.841 local terms energy: -313.025745 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -54.856 flat angles C4'-P-C4' energy: -65.558 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -75.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1005.439663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.439663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.439663 (E_RNA) where: Base-Base interactions energy: -700.307 where: short stacking energy: -308.494 Base-Backbone interact. energy: -0.665 local terms energy: -304.467284 where: bonds (distance) C4'-P energy: -52.807 bonds (distance) P-C4' energy: -55.771 flat angles C4'-P-C4' energy: -70.198 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -82.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -931.224381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.224381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.224381 (E_RNA) where: Base-Base interactions energy: -645.220 where: short stacking energy: -277.054 Base-Backbone interact. energy: 0.360 local terms energy: -286.364886 where: bonds (distance) C4'-P energy: -52.993 bonds (distance) P-C4' energy: -55.439 flat angles C4'-P-C4' energy: -60.484 flat angles P-C4'-P energy: -44.646 tors. eta vs tors. theta energy: -72.802 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: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -771.754759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.754759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.754759 (E_RNA) where: Base-Base interactions energy: -528.876 where: short stacking energy: -232.072 Base-Backbone interact. energy: -0.958 local terms energy: -241.920155 where: bonds (distance) C4'-P energy: -39.583 bonds (distance) P-C4' energy: -49.044 flat angles C4'-P-C4' energy: -60.218 flat angles P-C4'-P energy: -34.019 tors. eta vs tors. theta energy: -59.055 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: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -785.045076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.045076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.045076 (E_RNA) where: Base-Base interactions energy: -514.790 where: short stacking energy: -226.652 Base-Backbone interact. energy: -0.824 local terms energy: -269.431252 where: bonds (distance) C4'-P energy: -61.611 bonds (distance) P-C4' energy: -55.119 flat angles C4'-P-C4' energy: -63.600 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -46.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -694.766933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.766933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.766933 (E_RNA) where: Base-Base interactions energy: -460.513 where: short stacking energy: -221.368 Base-Backbone interact. energy: -1.078 local terms energy: -233.175771 where: bonds (distance) C4'-P energy: -44.938 bonds (distance) P-C4' energy: -46.985 flat angles C4'-P-C4' energy: -62.204 flat angles P-C4'-P energy: -26.773 tors. eta vs tors. theta energy: -52.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -573.389246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.389246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.389246 (E_RNA) where: Base-Base interactions energy: -349.945 where: short stacking energy: -153.572 Base-Backbone interact. energy: 0.022 local terms energy: -223.466336 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -50.505 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -25.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1149.981808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.981808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.981808 (E_RNA) where: Base-Base interactions energy: -807.875 where: short stacking energy: -359.008 Base-Backbone interact. energy: -0.055 local terms energy: -342.051278 where: bonds (distance) C4'-P energy: -62.715 bonds (distance) P-C4' energy: -58.983 flat angles C4'-P-C4' energy: -72.186 flat angles P-C4'-P energy: -48.027 tors. eta vs tors. theta energy: -100.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1118.639321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.639321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.639321 (E_RNA) where: Base-Base interactions energy: -789.066 where: short stacking energy: -333.260 Base-Backbone interact. energy: 0.018 local terms energy: -329.591700 where: bonds (distance) C4'-P energy: -61.522 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -74.378 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -91.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1076.470786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.470786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.470786 (E_RNA) where: Base-Base interactions energy: -746.592 where: short stacking energy: -339.222 Base-Backbone interact. energy: -0.392 local terms energy: -329.486258 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -69.643 flat angles C4'-P-C4' energy: -63.166 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -92.986 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: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -973.265850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.265850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.265850 (E_RNA) where: Base-Base interactions energy: -664.393 where: short stacking energy: -292.727 Base-Backbone interact. energy: 2.397 local terms energy: -311.269929 where: bonds (distance) C4'-P energy: -58.527 bonds (distance) P-C4' energy: -65.594 flat angles C4'-P-C4' energy: -59.416 flat angles P-C4'-P energy: -52.034 tors. eta vs tors. theta energy: -75.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -956.803170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.803170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.803170 (E_RNA) where: Base-Base interactions energy: -646.654 where: short stacking energy: -285.190 Base-Backbone interact. energy: -0.537 local terms energy: -309.611809 where: bonds (distance) C4'-P energy: -56.211 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -61.145 flat angles P-C4'-P energy: -49.940 tors. eta vs tors. theta energy: -78.198 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: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -968.731762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.731762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.731762 (E_RNA) where: Base-Base interactions energy: -664.397 where: short stacking energy: -296.703 Base-Backbone interact. energy: -0.833 local terms energy: -303.501088 where: bonds (distance) C4'-P energy: -55.446 bonds (distance) P-C4' energy: -63.438 flat angles C4'-P-C4' energy: -61.251 flat angles P-C4'-P energy: -38.797 tors. eta vs tors. theta energy: -84.569 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: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -817.790651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.790651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.790651 (E_RNA) where: Base-Base interactions energy: -554.852 where: short stacking energy: -215.222 Base-Backbone interact. energy: -1.532 local terms energy: -261.406737 where: bonds (distance) C4'-P energy: -59.332 bonds (distance) P-C4' energy: -54.600 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -28.539 tors. eta vs tors. theta energy: -51.683 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: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -767.002576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.002576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.002576 (E_RNA) where: Base-Base interactions energy: -517.257 where: short stacking energy: -224.479 Base-Backbone interact. energy: 4.238 local terms energy: -253.983747 where: bonds (distance) C4'-P energy: -54.773 bonds (distance) P-C4' energy: -50.745 flat angles C4'-P-C4' energy: -59.811 flat angles P-C4'-P energy: -35.462 tors. eta vs tors. theta energy: -53.192 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: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -692.679578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.679578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.679578 (E_RNA) where: Base-Base interactions energy: -447.926 where: short stacking energy: -201.096 Base-Backbone interact. energy: -0.445 local terms energy: -244.308136 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -43.109 flat angles C4'-P-C4' energy: -62.799 flat angles P-C4'-P energy: -39.494 tors. eta vs tors. theta energy: -38.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -569.950354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.950354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.950354 (E_RNA) where: Base-Base interactions energy: -374.744 where: short stacking energy: -179.250 Base-Backbone interact. energy: 4.247 local terms energy: -199.453221 where: bonds (distance) C4'-P energy: -52.789 bonds (distance) P-C4' energy: -43.325 flat angles C4'-P-C4' energy: -52.793 flat angles P-C4'-P energy: -22.717 tors. eta vs tors. theta energy: -27.829 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: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1163.887364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.887364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.887364 (E_RNA) where: Base-Base interactions energy: -827.864 where: short stacking energy: -357.996 Base-Backbone interact. energy: 2.150 local terms energy: -338.173090 where: bonds (distance) C4'-P energy: -65.555 bonds (distance) P-C4' energy: -63.869 flat angles C4'-P-C4' energy: -67.915 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -94.999 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1115.089594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.089594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.089594 (E_RNA) where: Base-Base interactions energy: -790.472 where: short stacking energy: -326.212 Base-Backbone interact. energy: -2.020 local terms energy: -322.596930 where: bonds (distance) C4'-P energy: -52.893 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -93.780 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: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1052.172775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.172775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.172775 (E_RNA) where: Base-Base interactions energy: -735.546 where: short stacking energy: -337.032 Base-Backbone interact. energy: 1.195 local terms energy: -317.822231 where: bonds (distance) C4'-P energy: -54.556 bonds (distance) P-C4' energy: -62.956 flat angles C4'-P-C4' energy: -68.964 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -85.485 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: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -989.985133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.985133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.985133 (E_RNA) where: Base-Base interactions energy: -693.628 where: short stacking energy: -305.045 Base-Backbone interact. energy: -1.328 local terms energy: -295.028524 where: bonds (distance) C4'-P energy: -57.869 bonds (distance) P-C4' energy: -54.223 flat angles C4'-P-C4' energy: -65.708 flat angles P-C4'-P energy: -43.501 tors. eta vs tors. theta energy: -73.728 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: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -956.037520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.037520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.037520 (E_RNA) where: Base-Base interactions energy: -643.814 where: short stacking energy: -291.740 Base-Backbone interact. energy: -0.528 local terms energy: -311.695538 where: bonds (distance) C4'-P energy: -54.649 bonds (distance) P-C4' energy: -65.300 flat angles C4'-P-C4' energy: -68.624 flat angles P-C4'-P energy: -34.453 tors. eta vs tors. theta energy: -88.668 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: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -958.329818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.329818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.329818 (E_RNA) where: Base-Base interactions energy: -657.357 where: short stacking energy: -290.271 Base-Backbone interact. energy: 0.086 local terms energy: -301.059175 where: bonds (distance) C4'-P energy: -52.855 bonds (distance) P-C4' energy: -56.635 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -34.802 tors. eta vs tors. theta energy: -87.445 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: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -777.631650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.631650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.631650 (E_RNA) where: Base-Base interactions energy: -553.369 where: short stacking energy: -238.227 Base-Backbone interact. energy: 1.407 local terms energy: -225.669863 where: bonds (distance) C4'-P energy: -46.635 bonds (distance) P-C4' energy: -45.912 flat angles C4'-P-C4' energy: -49.289 flat angles P-C4'-P energy: -27.560 tors. eta vs tors. theta energy: -56.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -729.302460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.302460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.302460 (E_RNA) where: Base-Base interactions energy: -483.731 where: short stacking energy: -205.537 Base-Backbone interact. energy: -0.614 local terms energy: -244.958110 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -33.879 tors. eta vs tors. theta energy: -36.207 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: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -615.650799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.650799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.650799 (E_RNA) where: Base-Base interactions energy: -400.918 where: short stacking energy: -169.359 Base-Backbone interact. energy: -0.544 local terms energy: -214.189552 where: bonds (distance) C4'-P energy: -45.684 bonds (distance) P-C4' energy: -48.462 flat angles C4'-P-C4' energy: -56.878 flat angles P-C4'-P energy: -36.596 tors. eta vs tors. theta energy: -26.569 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: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -516.763497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.763497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.763497 (E_RNA) where: Base-Base interactions energy: -328.512 where: short stacking energy: -146.582 Base-Backbone interact. energy: -1.660 local terms energy: -186.591953 where: bonds (distance) C4'-P energy: -55.027 bonds (distance) P-C4' energy: -48.589 flat angles C4'-P-C4' energy: -42.738 flat angles P-C4'-P energy: -27.150 tors. eta vs tors. theta energy: -13.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1138.311714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.311714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.311714 (E_RNA) where: Base-Base interactions energy: -789.307 where: short stacking energy: -336.960 Base-Backbone interact. energy: -1.618 local terms energy: -347.386483 where: bonds (distance) C4'-P energy: -62.020 bonds (distance) P-C4' energy: -69.243 flat angles C4'-P-C4' energy: -69.941 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -94.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1133.873580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.873580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.873580 (E_RNA) where: Base-Base interactions energy: -799.784 where: short stacking energy: -354.349 Base-Backbone interact. energy: -0.796 local terms energy: -333.293412 where: bonds (distance) C4'-P energy: -67.943 bonds (distance) P-C4' energy: -54.470 flat angles C4'-P-C4' energy: -69.358 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -97.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1059.924889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.924889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.924889 (E_RNA) where: Base-Base interactions energy: -737.078 where: short stacking energy: -321.958 Base-Backbone interact. energy: -0.330 local terms energy: -322.517543 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -64.516 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -97.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -979.003208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.003208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.003208 (E_RNA) where: Base-Base interactions energy: -675.110 where: short stacking energy: -291.103 Base-Backbone interact. energy: 0.767 local terms energy: -304.659947 where: bonds (distance) C4'-P energy: -51.824 bonds (distance) P-C4' energy: -58.034 flat angles C4'-P-C4' energy: -62.759 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -88.094 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: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1005.328390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.328390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.328390 (E_RNA) where: Base-Base interactions energy: -682.777 where: short stacking energy: -311.059 Base-Backbone interact. energy: -0.286 local terms energy: -322.265263 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -67.161 flat angles P-C4'-P energy: -40.956 tors. eta vs tors. theta energy: -96.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -931.788786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.788786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.788786 (E_RNA) where: Base-Base interactions energy: -642.892 where: short stacking energy: -279.501 Base-Backbone interact. energy: 1.232 local terms energy: -290.128877 where: bonds (distance) C4'-P energy: -46.408 bonds (distance) P-C4' energy: -64.482 flat angles C4'-P-C4' energy: -64.264 flat angles P-C4'-P energy: -35.114 tors. eta vs tors. theta energy: -79.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -760.357927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.357927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.357927 (E_RNA) where: Base-Base interactions energy: -496.059 where: short stacking energy: -237.808 Base-Backbone interact. energy: -0.255 local terms energy: -264.043661 where: bonds (distance) C4'-P energy: -62.079 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -57.219 flat angles P-C4'-P energy: -35.560 tors. eta vs tors. theta energy: -50.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -748.882363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.882363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.882363 (E_RNA) where: Base-Base interactions energy: -487.909 where: short stacking energy: -213.732 Base-Backbone interact. energy: -0.982 local terms energy: -259.991539 where: bonds (distance) C4'-P energy: -50.628 bonds (distance) P-C4' energy: -54.759 flat angles C4'-P-C4' energy: -57.945 flat angles P-C4'-P energy: -38.698 tors. eta vs tors. theta energy: -57.961 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: 340 Temperature: 1.300000 Total energy: -639.954076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.954076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.954076 (E_RNA) where: Base-Base interactions energy: -416.987 where: short stacking energy: -201.295 Base-Backbone interact. energy: 5.971 local terms energy: -228.938421 where: bonds (distance) C4'-P energy: -34.050 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -63.747 flat angles P-C4'-P energy: -28.018 tors. eta vs tors. theta energy: -41.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -436.346347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.346347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.346347 (E_RNA) where: Base-Base interactions energy: -240.844 where: short stacking energy: -108.971 Base-Backbone interact. energy: -1.600 local terms energy: -193.902568 where: bonds (distance) C4'-P energy: -55.652 bonds (distance) P-C4' energy: -44.825 flat angles C4'-P-C4' energy: -49.346 flat angles P-C4'-P energy: -37.054 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1125.835214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.835214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.835214 (E_RNA) where: Base-Base interactions energy: -794.701 where: short stacking energy: -323.778 Base-Backbone interact. energy: -2.261 local terms energy: -328.872669 where: bonds (distance) C4'-P energy: -63.884 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -70.782 flat angles P-C4'-P energy: -38.831 tors. eta vs tors. theta energy: -93.341 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: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1141.281244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.281244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.281244 (E_RNA) where: Base-Base interactions energy: -792.617 where: short stacking energy: -346.088 Base-Backbone interact. energy: 0.060 local terms energy: -348.724521 where: bonds (distance) C4'-P energy: -71.973 bonds (distance) P-C4' energy: -69.729 flat angles C4'-P-C4' energy: -68.186 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -93.072 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: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1053.036708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.036708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.036708 (E_RNA) where: Base-Base interactions energy: -717.047 where: short stacking energy: -329.621 Base-Backbone interact. energy: -2.603 local terms energy: -333.386637 where: bonds (distance) C4'-P energy: -60.731 bonds (distance) P-C4' energy: -56.670 flat angles C4'-P-C4' energy: -72.240 flat angles P-C4'-P energy: -51.315 tors. eta vs tors. theta energy: -92.431 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: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1040.955397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.955397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.955397 (E_RNA) where: Base-Base interactions energy: -704.217 where: short stacking energy: -327.203 Base-Backbone interact. energy: -0.094 local terms energy: -336.643806 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -61.105 flat angles C4'-P-C4' energy: -75.414 flat angles P-C4'-P energy: -48.185 tors. eta vs tors. theta energy: -90.297 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: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -969.474843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.474843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.474843 (E_RNA) where: Base-Base interactions energy: -676.315 where: short stacking energy: -284.756 Base-Backbone interact. energy: 1.883 local terms energy: -295.043398 where: bonds (distance) C4'-P energy: -53.972 bonds (distance) P-C4' energy: -60.457 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -40.060 tors. eta vs tors. theta energy: -71.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -950.686637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.686637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.686637 (E_RNA) where: Base-Base interactions energy: -656.537 where: short stacking energy: -303.576 Base-Backbone interact. energy: -0.355 local terms energy: -293.794342 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -61.768 flat angles P-C4'-P energy: -42.663 tors. eta vs tors. theta energy: -72.483 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: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -756.902450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.902450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.902450 (E_RNA) where: Base-Base interactions energy: -503.451 where: short stacking energy: -227.344 Base-Backbone interact. energy: 1.730 local terms energy: -255.180865 where: bonds (distance) C4'-P energy: -60.932 bonds (distance) P-C4' energy: -58.293 flat angles C4'-P-C4' energy: -50.198 flat angles P-C4'-P energy: -32.963 tors. eta vs tors. theta energy: -52.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -677.736140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.736140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.736140 (E_RNA) where: Base-Base interactions energy: -436.137 where: short stacking energy: -194.185 Base-Backbone interact. energy: -0.335 local terms energy: -241.264238 where: bonds (distance) C4'-P energy: -60.211 bonds (distance) P-C4' energy: -48.451 flat angles C4'-P-C4' energy: -56.675 flat angles P-C4'-P energy: -41.014 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: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -776.130342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.130342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.130342 (E_RNA) where: Base-Base interactions energy: -529.788 where: short stacking energy: -230.599 Base-Backbone interact. energy: -0.203 local terms energy: -246.139439 where: bonds (distance) C4'-P energy: -49.396 bonds (distance) P-C4' energy: -48.994 flat angles C4'-P-C4' energy: -62.268 flat angles P-C4'-P energy: -35.488 tors. eta vs tors. theta energy: -49.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -411.996808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.996808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.996808 (E_RNA) where: Base-Base interactions energy: -208.627 where: short stacking energy: -127.730 Base-Backbone interact. energy: 2.770 local terms energy: -206.139247 where: bonds (distance) C4'-P energy: -57.273 bonds (distance) P-C4' energy: -48.328 flat angles C4'-P-C4' energy: -59.362 flat angles P-C4'-P energy: -32.044 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1151.357065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.357065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.357065 (E_RNA) where: Base-Base interactions energy: -806.154 where: short stacking energy: -355.972 Base-Backbone interact. energy: -0.888 local terms energy: -344.315750 where: bonds (distance) C4'-P energy: -52.952 bonds (distance) P-C4' energy: -72.486 flat angles C4'-P-C4' energy: -74.166 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -99.727 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: 342 Temperature: 0.950000 Total energy: -1085.228234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.228234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.228234 (E_RNA) where: Base-Base interactions energy: -757.440 where: short stacking energy: -315.833 Base-Backbone interact. energy: -2.590 local terms energy: -325.198090 where: bonds (distance) C4'-P energy: -61.621 bonds (distance) P-C4' energy: -53.042 flat angles C4'-P-C4' energy: -76.759 flat angles P-C4'-P energy: -47.532 tors. eta vs tors. theta energy: -86.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1071.830604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.830604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.830604 (E_RNA) where: Base-Base interactions energy: -746.131 where: short stacking energy: -325.332 Base-Backbone interact. energy: 0.024 local terms energy: -325.723398 where: bonds (distance) C4'-P energy: -61.766 bonds (distance) P-C4' energy: -58.551 flat angles C4'-P-C4' energy: -73.183 flat angles P-C4'-P energy: -35.090 tors. eta vs tors. theta energy: -97.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1018.913864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.913864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.913864 (E_RNA) where: Base-Base interactions energy: -688.377 where: short stacking energy: -315.940 Base-Backbone interact. energy: -0.732 local terms energy: -329.804744 where: bonds (distance) C4'-P energy: -59.777 bonds (distance) P-C4' energy: -63.923 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -90.768 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: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -987.296402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.296402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.296402 (E_RNA) where: Base-Base interactions energy: -686.720 where: short stacking energy: -311.967 Base-Backbone interact. energy: -0.189 local terms energy: -300.387331 where: bonds (distance) C4'-P energy: -42.476 bonds (distance) P-C4' energy: -58.830 flat angles C4'-P-C4' energy: -65.786 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -87.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -933.803910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.803910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.803910 (E_RNA) where: Base-Base interactions energy: -645.717 where: short stacking energy: -282.360 Base-Backbone interact. energy: -1.181 local terms energy: -286.905925 where: bonds (distance) C4'-P energy: -59.571 bonds (distance) P-C4' energy: -58.889 flat angles C4'-P-C4' energy: -59.973 flat angles P-C4'-P energy: -38.401 tors. eta vs tors. theta energy: -70.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -778.689092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.689092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.689092 (E_RNA) where: Base-Base interactions energy: -549.552 where: short stacking energy: -235.944 Base-Backbone interact. energy: -0.234 local terms energy: -228.902854 where: bonds (distance) C4'-P energy: -42.550 bonds (distance) P-C4' energy: -47.756 flat angles C4'-P-C4' energy: -52.539 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -49.552 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: 342 Temperature: 1.250000 Total energy: -717.970171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.970171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.970171 (E_RNA) where: Base-Base interactions energy: -471.480 where: short stacking energy: -218.785 Base-Backbone interact. energy: -0.759 local terms energy: -245.731605 where: bonds (distance) C4'-P energy: -56.166 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -54.913 flat angles P-C4'-P energy: -34.970 tors. eta vs tors. theta energy: -37.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -808.290337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.290337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.290337 (E_RNA) where: Base-Base interactions energy: -543.823 where: short stacking energy: -243.202 Base-Backbone interact. energy: -1.185 local terms energy: -263.282294 where: bonds (distance) C4'-P energy: -51.237 bonds (distance) P-C4' energy: -47.604 flat angles C4'-P-C4' energy: -64.695 flat angles P-C4'-P energy: -44.407 tors. eta vs tors. theta energy: -55.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -426.560811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.560811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.560811 (E_RNA) where: Base-Base interactions energy: -243.121 where: short stacking energy: -132.092 Base-Backbone interact. energy: 2.942 local terms energy: -186.381836 where: bonds (distance) C4'-P energy: -50.362 bonds (distance) P-C4' energy: -39.786 flat angles C4'-P-C4' energy: -48.388 flat angles P-C4'-P energy: -32.278 tors. eta vs tors. theta energy: -15.568 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: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1168.677024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.677024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.677024 (E_RNA) where: Base-Base interactions energy: -824.681 where: short stacking energy: -353.642 Base-Backbone interact. energy: 2.593 local terms energy: -346.589537 where: bonds (distance) C4'-P energy: -62.768 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -73.393 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -93.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1096.353739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.353739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.353739 (E_RNA) where: Base-Base interactions energy: -757.588 where: short stacking energy: -325.041 Base-Backbone interact. energy: -1.191 local terms energy: -337.574104 where: bonds (distance) C4'-P energy: -61.130 bonds (distance) P-C4' energy: -71.470 flat angles C4'-P-C4' energy: -78.273 flat angles P-C4'-P energy: -42.804 tors. eta vs tors. theta energy: -83.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1074.788275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.788275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.788275 (E_RNA) where: Base-Base interactions energy: -744.750 where: short stacking energy: -330.935 Base-Backbone interact. energy: -0.001 local terms energy: -330.037067 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -92.809 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: 343 Temperature: 1.050000 Total energy: -1037.701420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.701420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.701420 (E_RNA) where: Base-Base interactions energy: -719.551 where: short stacking energy: -317.951 Base-Backbone interact. energy: 1.098 local terms energy: -319.248584 where: bonds (distance) C4'-P energy: -56.037 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -74.622 flat angles P-C4'-P energy: -42.179 tors. eta vs tors. theta energy: -85.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -955.807335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.807335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.807335 (E_RNA) where: Base-Base interactions energy: -653.566 where: short stacking energy: -307.816 Base-Backbone interact. energy: -0.805 local terms energy: -301.435891 where: bonds (distance) C4'-P energy: -54.831 bonds (distance) P-C4' energy: -56.398 flat angles C4'-P-C4' energy: -60.061 flat angles P-C4'-P energy: -47.068 tors. eta vs tors. theta energy: -83.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -936.497761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.497761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.497761 (E_RNA) where: Base-Base interactions energy: -653.754 where: short stacking energy: -273.052 Base-Backbone interact. energy: 0.446 local terms energy: -283.189860 where: bonds (distance) C4'-P energy: -47.619 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -41.795 tors. eta vs tors. theta energy: -67.984 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: 343 Temperature: 1.200000 Total energy: -818.919207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.919207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.919207 (E_RNA) where: Base-Base interactions energy: -568.628 where: short stacking energy: -241.192 Base-Backbone interact. energy: -0.847 local terms energy: -249.444145 where: bonds (distance) C4'-P energy: -47.414 bonds (distance) P-C4' energy: -49.286 flat angles C4'-P-C4' energy: -64.347 flat angles P-C4'-P energy: -36.116 tors. eta vs tors. theta energy: -52.281 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: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -876.181085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.181085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.181085 (E_RNA) where: Base-Base interactions energy: -602.141 where: short stacking energy: -270.799 Base-Backbone interact. energy: 0.155 local terms energy: -274.194760 where: bonds (distance) C4'-P energy: -49.333 bonds (distance) P-C4' energy: -50.820 flat angles C4'-P-C4' energy: -63.171 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -66.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -660.778163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.778163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.778163 (E_RNA) where: Base-Base interactions energy: -445.696 where: short stacking energy: -212.278 Base-Backbone interact. energy: 0.736 local terms energy: -215.818028 where: bonds (distance) C4'-P energy: -46.210 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -40.740 flat angles P-C4'-P energy: -18.923 tors. eta vs tors. theta energy: -48.596 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: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -434.879293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.879293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.879293 (E_RNA) where: Base-Base interactions energy: -250.421 where: short stacking energy: -125.397 Base-Backbone interact. energy: 1.533 local terms energy: -185.991645 where: bonds (distance) C4'-P energy: -60.046 bonds (distance) P-C4' energy: -39.405 flat angles C4'-P-C4' energy: -54.528 flat angles P-C4'-P energy: -26.150 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1171.556852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.556852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.556852 (E_RNA) where: Base-Base interactions energy: -811.407 where: short stacking energy: -352.646 Base-Backbone interact. energy: -0.913 local terms energy: -359.237087 where: bonds (distance) C4'-P energy: -59.447 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: -100.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1107.924890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.924890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.924890 (E_RNA) where: Base-Base interactions energy: -777.690 where: short stacking energy: -333.735 Base-Backbone interact. energy: -2.382 local terms energy: -327.852696 where: bonds (distance) C4'-P energy: -61.246 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -69.796 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -96.447 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: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1059.510815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.510815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.510815 (E_RNA) where: Base-Base interactions energy: -729.508 where: short stacking energy: -322.025 Base-Backbone interact. energy: -0.641 local terms energy: -329.361471 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -60.311 flat angles C4'-P-C4' energy: -70.155 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -97.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1032.742721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.742721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.742721 (E_RNA) where: Base-Base interactions energy: -697.490 where: short stacking energy: -315.999 Base-Backbone interact. energy: -0.484 local terms energy: -334.768664 where: bonds (distance) C4'-P energy: -65.996 bonds (distance) P-C4' energy: -69.113 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -87.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -967.446459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.446459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.446459 (E_RNA) where: Base-Base interactions energy: -682.520 where: short stacking energy: -287.631 Base-Backbone interact. energy: 0.955 local terms energy: -285.881432 where: bonds (distance) C4'-P energy: -56.516 bonds (distance) P-C4' energy: -58.365 flat angles C4'-P-C4' energy: -52.745 flat angles P-C4'-P energy: -40.051 tors. eta vs tors. theta energy: -78.205 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: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -942.521086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.521086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.521086 (E_RNA) where: Base-Base interactions energy: -656.461 where: short stacking energy: -295.955 Base-Backbone interact. energy: 3.097 local terms energy: -289.157212 where: bonds (distance) C4'-P energy: -47.235 bonds (distance) P-C4' energy: -62.241 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: -82.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -899.804456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.804456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.804456 (E_RNA) where: Base-Base interactions energy: -629.049 where: short stacking energy: -272.586 Base-Backbone interact. energy: -0.230 local terms energy: -270.525622 where: bonds (distance) C4'-P energy: -54.074 bonds (distance) P-C4' energy: -50.339 flat angles C4'-P-C4' energy: -51.094 flat angles P-C4'-P energy: -44.017 tors. eta vs tors. theta energy: -71.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -770.562928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.562928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.562928 (E_RNA) where: Base-Base interactions energy: -536.677 where: short stacking energy: -235.309 Base-Backbone interact. energy: -0.063 local terms energy: -233.823376 where: bonds (distance) C4'-P energy: -58.912 bonds (distance) P-C4' energy: -43.880 flat angles C4'-P-C4' energy: -49.989 flat angles P-C4'-P energy: -29.904 tors. eta vs tors. theta energy: -51.139 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: 344 Temperature: 1.300000 Total energy: -693.225377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.225377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.225377 (E_RNA) where: Base-Base interactions energy: -451.136 where: short stacking energy: -203.237 Base-Backbone interact. energy: -0.999 local terms energy: -241.089729 where: bonds (distance) C4'-P energy: -48.838 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -65.563 flat angles P-C4'-P energy: -33.870 tors. eta vs tors. theta energy: -37.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -437.681427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.681427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.681427 (E_RNA) where: Base-Base interactions energy: -249.086 where: short stacking energy: -130.552 Base-Backbone interact. energy: 2.659 local terms energy: -191.254110 where: bonds (distance) C4'-P energy: -46.597 bonds (distance) P-C4' energy: -61.052 flat angles C4'-P-C4' energy: -47.191 flat angles P-C4'-P energy: -29.369 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1147.479003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.479003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.479003 (E_RNA) where: Base-Base interactions energy: -805.200 where: short stacking energy: -328.760 Base-Backbone interact. energy: -1.778 local terms energy: -340.500285 where: bonds (distance) C4'-P energy: -62.064 bonds (distance) P-C4' energy: -68.932 flat angles C4'-P-C4' energy: -73.288 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: -87.330 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: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1113.051786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.051786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.051786 (E_RNA) where: Base-Base interactions energy: -771.156 where: short stacking energy: -344.948 Base-Backbone interact. energy: -2.423 local terms energy: -339.472421 where: bonds (distance) C4'-P energy: -64.168 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -72.547 flat angles P-C4'-P energy: -41.557 tors. eta vs tors. theta energy: -101.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1059.462742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.462742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.462742 (E_RNA) where: Base-Base interactions energy: -729.764 where: short stacking energy: -317.200 Base-Backbone interact. energy: -0.322 local terms energy: -329.376178 where: bonds (distance) C4'-P energy: -63.782 bonds (distance) P-C4' energy: -64.882 flat angles C4'-P-C4' energy: -74.187 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -88.031 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: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1059.066128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.066128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.066128 (E_RNA) where: Base-Base interactions energy: -731.258 where: short stacking energy: -317.564 Base-Backbone interact. energy: -0.361 local terms energy: -327.447452 where: bonds (distance) C4'-P energy: -56.988 bonds (distance) P-C4' energy: -66.210 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -48.347 tors. eta vs tors. theta energy: -87.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -954.481112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.481112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.481112 (E_RNA) where: Base-Base interactions energy: -655.629 where: short stacking energy: -267.714 Base-Backbone interact. energy: -2.364 local terms energy: -296.488527 where: bonds (distance) C4'-P energy: -60.676 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -61.990 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: -70.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -917.213826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.213826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.213826 (E_RNA) where: Base-Base interactions energy: -630.824 where: short stacking energy: -277.435 Base-Backbone interact. energy: 2.978 local terms energy: -289.368443 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -76.649 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: 345 Temperature: 1.200000 Total energy: -918.782382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.782382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.782382 (E_RNA) where: Base-Base interactions energy: -611.995 where: short stacking energy: -278.813 Base-Backbone interact. energy: 1.073 local terms energy: -307.860485 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -61.325 flat angles C4'-P-C4' energy: -65.441 flat angles P-C4'-P energy: -38.665 tors. eta vs tors. theta energy: -77.788 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: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -769.346486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.346486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.346486 (E_RNA) where: Base-Base interactions energy: -529.639 where: short stacking energy: -234.689 Base-Backbone interact. energy: -1.594 local terms energy: -238.113300 where: bonds (distance) C4'-P energy: -46.155 bonds (distance) P-C4' energy: -45.946 flat angles C4'-P-C4' energy: -51.471 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -56.990 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: 345 Temperature: 1.300000 Total energy: -685.420912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.420912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.420912 (E_RNA) where: Base-Base interactions energy: -473.102 where: short stacking energy: -214.782 Base-Backbone interact. energy: -1.810 local terms energy: -210.508632 where: bonds (distance) C4'-P energy: -43.313 bonds (distance) P-C4' energy: -49.727 flat angles C4'-P-C4' energy: -52.394 flat angles P-C4'-P energy: -26.732 tors. eta vs tors. theta energy: -38.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -514.387499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.387499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.387499 (E_RNA) where: Base-Base interactions energy: -307.790 where: short stacking energy: -143.396 Base-Backbone interact. energy: -0.611 local terms energy: -205.986029 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -56.204 flat angles C4'-P-C4' energy: -51.962 flat angles P-C4'-P energy: -21.984 tors. eta vs tors. theta energy: -19.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1174.044079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.044079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.044079 (E_RNA) where: Base-Base interactions energy: -814.142 where: short stacking energy: -352.367 Base-Backbone interact. energy: -0.677 local terms energy: -359.224645 where: bonds (distance) C4'-P energy: -67.198 bonds (distance) P-C4' energy: -71.069 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -97.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1105.327376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.327376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.327376 (E_RNA) where: Base-Base interactions energy: -770.704 where: short stacking energy: -334.040 Base-Backbone interact. energy: 1.702 local terms energy: -336.324932 where: bonds (distance) C4'-P energy: -64.130 bonds (distance) P-C4' energy: -68.398 flat angles C4'-P-C4' energy: -70.152 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -89.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1079.323375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.323375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.323375 (E_RNA) where: Base-Base interactions energy: -757.532 where: short stacking energy: -347.431 Base-Backbone interact. energy: 0.695 local terms energy: -322.485910 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -51.983 flat angles C4'-P-C4' energy: -71.263 flat angles P-C4'-P energy: -47.990 tors. eta vs tors. theta energy: -93.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1053.959520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.959520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.959520 (E_RNA) where: Base-Base interactions energy: -724.235 where: short stacking energy: -319.468 Base-Backbone interact. energy: -1.080 local terms energy: -328.644996 where: bonds (distance) C4'-P energy: -50.762 bonds (distance) P-C4' energy: -65.226 flat angles C4'-P-C4' energy: -73.174 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -88.763 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: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -956.635934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.635934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.635934 (E_RNA) where: Base-Base interactions energy: -657.191 where: short stacking energy: -269.644 Base-Backbone interact. energy: -0.630 local terms energy: -298.814442 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -65.967 flat angles C4'-P-C4' energy: -63.221 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -66.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -898.372792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.372792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.372792 (E_RNA) where: Base-Base interactions energy: -632.905 where: short stacking energy: -285.410 Base-Backbone interact. energy: -1.193 local terms energy: -264.274904 where: bonds (distance) C4'-P energy: -37.957 bonds (distance) P-C4' energy: -61.360 flat angles C4'-P-C4' energy: -57.463 flat angles P-C4'-P energy: -35.908 tors. eta vs tors. theta energy: -71.587 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: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -926.038320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.038320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.038320 (E_RNA) where: Base-Base interactions energy: -627.454 where: short stacking energy: -295.371 Base-Backbone interact. energy: -0.387 local terms energy: -298.197737 where: bonds (distance) C4'-P energy: -53.316 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -60.043 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -86.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -811.903232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.903232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.903232 (E_RNA) where: Base-Base interactions energy: -556.851 where: short stacking energy: -253.335 Base-Backbone interact. energy: -0.919 local terms energy: -254.133948 where: bonds (distance) C4'-P energy: -55.448 bonds (distance) P-C4' energy: -53.534 flat angles C4'-P-C4' energy: -49.745 flat angles P-C4'-P energy: -36.480 tors. eta vs tors. theta energy: -58.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -636.065678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.065678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.065678 (E_RNA) where: Base-Base interactions energy: -410.575 where: short stacking energy: -179.119 Base-Backbone interact. energy: -1.904 local terms energy: -223.586188 where: bonds (distance) C4'-P energy: -51.743 bonds (distance) P-C4' energy: -49.940 flat angles C4'-P-C4' energy: -50.235 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: -33.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -501.607669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.607669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.607669 (E_RNA) where: Base-Base interactions energy: -285.021 where: short stacking energy: -136.387 Base-Backbone interact. energy: 2.453 local terms energy: -219.039090 where: bonds (distance) C4'-P energy: -56.795 bonds (distance) P-C4' energy: -56.580 flat angles C4'-P-C4' energy: -58.590 flat angles P-C4'-P energy: -30.419 tors. eta vs tors. theta energy: -16.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1173.889710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.889710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.889710 (E_RNA) where: Base-Base interactions energy: -818.448 where: short stacking energy: -350.735 Base-Backbone interact. energy: -0.318 local terms energy: -355.123328 where: bonds (distance) C4'-P energy: -66.512 bonds (distance) P-C4' energy: -69.257 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -96.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1081.837607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.837607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.837607 (E_RNA) where: Base-Base interactions energy: -750.834 where: short stacking energy: -317.252 Base-Backbone interact. energy: -0.364 local terms energy: -330.639213 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -66.416 flat angles P-C4'-P energy: -40.457 tors. eta vs tors. theta energy: -91.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1083.409528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.409528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.409528 (E_RNA) where: Base-Base interactions energy: -747.848 where: short stacking energy: -338.472 Base-Backbone interact. energy: -1.130 local terms energy: -334.431841 where: bonds (distance) C4'-P energy: -57.198 bonds (distance) P-C4' energy: -71.304 flat angles C4'-P-C4' energy: -68.092 flat angles P-C4'-P energy: -42.013 tors. eta vs tors. theta energy: -95.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1058.510750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.510750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.510750 (E_RNA) where: Base-Base interactions energy: -731.617 where: short stacking energy: -318.155 Base-Backbone interact. energy: -0.338 local terms energy: -326.555019 where: bonds (distance) C4'-P energy: -62.511 bonds (distance) P-C4' energy: -61.332 flat angles C4'-P-C4' energy: -63.604 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -95.098 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: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -978.031397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.031397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.031397 (E_RNA) where: Base-Base interactions energy: -670.011 where: short stacking energy: -282.130 Base-Backbone interact. energy: 0.159 local terms energy: -308.179076 where: bonds (distance) C4'-P energy: -56.025 bonds (distance) P-C4' energy: -62.189 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -49.246 tors. eta vs tors. theta energy: -73.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -930.393778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.393778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.393778 (E_RNA) where: Base-Base interactions energy: -632.446 where: short stacking energy: -290.507 Base-Backbone interact. energy: -0.469 local terms energy: -297.478251 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -59.675 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -82.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -904.217494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.217494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.217494 (E_RNA) where: Base-Base interactions energy: -635.476 where: short stacking energy: -270.061 Base-Backbone interact. energy: 3.493 local terms energy: -272.234713 where: bonds (distance) C4'-P energy: -47.934 bonds (distance) P-C4' energy: -51.172 flat angles C4'-P-C4' energy: -54.452 flat angles P-C4'-P energy: -47.345 tors. eta vs tors. theta energy: -71.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -800.606513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.606513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.606513 (E_RNA) where: Base-Base interactions energy: -557.987 where: short stacking energy: -248.161 Base-Backbone interact. energy: -1.955 local terms energy: -240.664897 where: bonds (distance) C4'-P energy: -48.093 bonds (distance) P-C4' energy: -40.997 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -40.413 tors. eta vs tors. theta energy: -56.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -697.587369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.587369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.587369 (E_RNA) where: Base-Base interactions energy: -450.934 where: short stacking energy: -201.530 Base-Backbone interact. energy: 0.143 local terms energy: -246.796644 where: bonds (distance) C4'-P energy: -53.203 bonds (distance) P-C4' energy: -53.269 flat angles C4'-P-C4' energy: -58.606 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -36.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -490.305968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.305968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.305968 (E_RNA) where: Base-Base interactions energy: -284.436 where: short stacking energy: -147.397 Base-Backbone interact. energy: 2.064 local terms energy: -207.934380 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -58.755 flat angles C4'-P-C4' energy: -52.813 flat angles P-C4'-P energy: -29.999 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: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1173.345856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.345856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.345856 (E_RNA) where: Base-Base interactions energy: -831.142 where: short stacking energy: -355.015 Base-Backbone interact. energy: -0.527 local terms energy: -341.676409 where: bonds (distance) C4'-P energy: -61.400 bonds (distance) P-C4' energy: -64.059 flat angles C4'-P-C4' energy: -79.100 flat angles P-C4'-P energy: -50.686 tors. eta vs tors. theta energy: -86.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1107.547892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.547892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.547892 (E_RNA) where: Base-Base interactions energy: -784.089 where: short stacking energy: -337.269 Base-Backbone interact. energy: -2.832 local terms energy: -320.627477 where: bonds (distance) C4'-P energy: -56.900 bonds (distance) P-C4' energy: -57.852 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -43.422 tors. eta vs tors. theta energy: -94.306 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: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1083.239855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.239855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.239855 (E_RNA) where: Base-Base interactions energy: -735.314 where: short stacking energy: -348.082 Base-Backbone interact. energy: -0.308 local terms energy: -347.617933 where: bonds (distance) C4'-P energy: -71.966 bonds (distance) P-C4' energy: -65.652 flat angles C4'-P-C4' energy: -60.593 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: -101.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1038.519525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.519525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.519525 (E_RNA) where: Base-Base interactions energy: -702.265 where: short stacking energy: -320.050 Base-Backbone interact. energy: -1.371 local terms energy: -334.883279 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -66.528 flat angles C4'-P-C4' energy: -73.861 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -92.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -982.368435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.368435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.368435 (E_RNA) where: Base-Base interactions energy: -688.392 where: short stacking energy: -289.113 Base-Backbone interact. energy: -1.412 local terms energy: -292.563558 where: bonds (distance) C4'-P energy: -61.597 bonds (distance) P-C4' energy: -65.007 flat angles C4'-P-C4' energy: -62.839 flat angles P-C4'-P energy: -37.314 tors. eta vs tors. theta energy: -65.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -934.025641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.025641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.025641 (E_RNA) where: Base-Base interactions energy: -626.200 where: short stacking energy: -276.332 Base-Backbone interact. energy: -1.151 local terms energy: -306.674828 where: bonds (distance) C4'-P energy: -55.033 bonds (distance) P-C4' energy: -69.545 flat angles C4'-P-C4' energy: -67.835 flat angles P-C4'-P energy: -40.713 tors. eta vs tors. theta energy: -73.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -909.134603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.134603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.134603 (E_RNA) where: Base-Base interactions energy: -616.748 where: short stacking energy: -277.417 Base-Backbone interact. energy: -1.328 local terms energy: -291.058019 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -51.123 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -37.699 tors. eta vs tors. theta energy: -77.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -804.644446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.644446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.644446 (E_RNA) where: Base-Base interactions energy: -569.832 where: short stacking energy: -250.096 Base-Backbone interact. energy: 1.742 local terms energy: -236.554542 where: bonds (distance) C4'-P energy: -44.792 bonds (distance) P-C4' energy: -54.075 flat angles C4'-P-C4' energy: -53.445 flat angles P-C4'-P energy: -31.292 tors. eta vs tors. theta energy: -52.951 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: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -695.274104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.274104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.274104 (E_RNA) where: Base-Base interactions energy: -438.160 where: short stacking energy: -212.576 Base-Backbone interact. energy: -1.069 local terms energy: -256.044275 where: bonds (distance) C4'-P energy: -56.767 bonds (distance) P-C4' energy: -52.959 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -43.207 tors. eta vs tors. theta energy: -42.545 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: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -448.368305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.368305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.368305 (E_RNA) where: Base-Base interactions energy: -264.842 where: short stacking energy: -147.002 Base-Backbone interact. energy: -0.722 local terms energy: -182.804006 where: bonds (distance) C4'-P energy: -43.278 bonds (distance) P-C4' energy: -48.566 flat angles C4'-P-C4' energy: -45.957 flat angles P-C4'-P energy: -27.452 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1150.668666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.668666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.668666 (E_RNA) where: Base-Base interactions energy: -813.023 where: short stacking energy: -349.328 Base-Backbone interact. energy: 0.699 local terms energy: -338.344902 where: bonds (distance) C4'-P energy: -64.513 bonds (distance) P-C4' energy: -58.514 flat angles C4'-P-C4' energy: -76.384 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -94.619 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: 349 Temperature: 0.950000 Total energy: -1119.486960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.486960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.486960 (E_RNA) where: Base-Base interactions energy: -761.344 where: short stacking energy: -371.719 Base-Backbone interact. energy: 0.151 local terms energy: -358.293192 where: bonds (distance) C4'-P energy: -68.245 bonds (distance) P-C4' energy: -57.698 flat angles C4'-P-C4' energy: -72.922 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -110.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1101.789944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.789944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.789944 (E_RNA) where: Base-Base interactions energy: -761.294 where: short stacking energy: -340.084 Base-Backbone interact. energy: -0.793 local terms energy: -339.703148 where: bonds (distance) C4'-P energy: -58.425 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -74.667 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -95.307 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: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1028.739478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.739478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.739478 (E_RNA) where: Base-Base interactions energy: -705.349 where: short stacking energy: -299.565 Base-Backbone interact. energy: 0.965 local terms energy: -324.355904 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -70.310 flat angles C4'-P-C4' energy: -71.560 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: -79.888 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: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -973.109124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.109124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.109124 (E_RNA) where: Base-Base interactions energy: -667.739 where: short stacking energy: -290.676 Base-Backbone interact. energy: -0.760 local terms energy: -304.610014 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -55.155 flat angles C4'-P-C4' energy: -65.256 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -81.548 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: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -922.533851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.533851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.533851 (E_RNA) where: Base-Base interactions energy: -622.837 where: short stacking energy: -272.090 Base-Backbone interact. energy: 0.290 local terms energy: -299.987084 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -65.960 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -35.107 tors. eta vs tors. theta energy: -77.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -903.848904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.848904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.848904 (E_RNA) where: Base-Base interactions energy: -618.574 where: short stacking energy: -273.937 Base-Backbone interact. energy: -0.696 local terms energy: -284.578736 where: bonds (distance) C4'-P energy: -56.890 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -62.183 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: -68.514 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: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -786.085459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.085459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.085459 (E_RNA) where: Base-Base interactions energy: -520.075 where: short stacking energy: -230.816 Base-Backbone interact. energy: 1.498 local terms energy: -267.508252 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -59.746 flat angles C4'-P-C4' energy: -54.817 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: -58.746 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: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -681.450171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.450171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.450171 (E_RNA) where: Base-Base interactions energy: -455.279 where: short stacking energy: -209.156 Base-Backbone interact. energy: -0.163 local terms energy: -226.008141 where: bonds (distance) C4'-P energy: -43.934 bonds (distance) P-C4' energy: -57.739 flat angles C4'-P-C4' energy: -49.332 flat angles P-C4'-P energy: -30.104 tors. eta vs tors. theta energy: -44.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -490.155414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.155414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.155414 (E_RNA) where: Base-Base interactions energy: -291.819 where: short stacking energy: -142.905 Base-Backbone interact. energy: -0.144 local terms energy: -198.193086 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -49.461 flat angles C4'-P-C4' energy: -52.450 flat angles P-C4'-P energy: -27.235 tors. eta vs tors. theta energy: -15.510 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: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1149.913191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.913191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.913191 (E_RNA) where: Base-Base interactions energy: -797.748 where: short stacking energy: -339.664 Base-Backbone interact. energy: -1.117 local terms energy: -351.047728 where: bonds (distance) C4'-P energy: -74.200 bonds (distance) P-C4' energy: -59.549 flat angles C4'-P-C4' energy: -81.294 flat angles P-C4'-P energy: -45.842 tors. eta vs tors. theta energy: -90.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1109.852188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.852188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.852188 (E_RNA) where: Base-Base interactions energy: -765.946 where: short stacking energy: -352.418 Base-Backbone interact. energy: -0.486 local terms energy: -343.420282 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -68.672 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: -99.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1079.941903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.941903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.941903 (E_RNA) where: Base-Base interactions energy: -739.208 where: short stacking energy: -338.545 Base-Backbone interact. energy: -1.328 local terms energy: -339.406417 where: bonds (distance) C4'-P energy: -65.498 bonds (distance) P-C4' energy: -64.533 flat angles C4'-P-C4' energy: -73.198 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -91.617 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: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1021.892232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.892232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.892232 (E_RNA) where: Base-Base interactions energy: -686.691 where: short stacking energy: -313.660 Base-Backbone interact. energy: 1.245 local terms energy: -336.446474 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -69.369 flat angles C4'-P-C4' energy: -66.262 flat angles P-C4'-P energy: -43.374 tors. eta vs tors. theta energy: -91.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -945.859604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.859604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.859604 (E_RNA) where: Base-Base interactions energy: -668.675 where: short stacking energy: -288.315 Base-Backbone interact. energy: -0.139 local terms energy: -277.046043 where: bonds (distance) C4'-P energy: -53.140 bonds (distance) P-C4' energy: -49.114 flat angles C4'-P-C4' energy: -62.718 flat angles P-C4'-P energy: -39.385 tors. eta vs tors. theta energy: -72.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -917.647730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.647730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.647730 (E_RNA) where: Base-Base interactions energy: -619.244 where: short stacking energy: -275.285 Base-Backbone interact. energy: 0.579 local terms energy: -298.982650 where: bonds (distance) C4'-P energy: -56.235 bonds (distance) P-C4' energy: -57.779 flat angles C4'-P-C4' energy: -71.204 flat angles P-C4'-P energy: -34.763 tors. eta vs tors. theta energy: -79.001 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: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -890.612966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.612966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.612966 (E_RNA) where: Base-Base interactions energy: -612.749 where: short stacking energy: -265.986 Base-Backbone interact. energy: 3.447 local terms energy: -281.311328 where: bonds (distance) C4'-P energy: -45.167 bonds (distance) P-C4' energy: -59.630 flat angles C4'-P-C4' energy: -56.241 flat angles P-C4'-P energy: -45.751 tors. eta vs tors. theta energy: -74.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -774.853797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.853797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.853797 (E_RNA) where: Base-Base interactions energy: -543.395 where: short stacking energy: -241.872 Base-Backbone interact. energy: 1.089 local terms energy: -232.547450 where: bonds (distance) C4'-P energy: -42.410 bonds (distance) P-C4' energy: -54.578 flat angles C4'-P-C4' energy: -60.325 flat angles P-C4'-P energy: -17.914 tors. eta vs tors. theta energy: -57.321 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: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -710.463999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.463999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.463999 (E_RNA) where: Base-Base interactions energy: -470.989 where: short stacking energy: -207.930 Base-Backbone interact. energy: 0.036 local terms energy: -239.510881 where: bonds (distance) C4'-P energy: -45.832 bonds (distance) P-C4' energy: -55.504 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -34.027 tors. eta vs tors. theta energy: -40.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -527.651132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.651132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.651132 (E_RNA) where: Base-Base interactions energy: -331.323 where: short stacking energy: -144.443 Base-Backbone interact. energy: -1.592 local terms energy: -194.735571 where: bonds (distance) C4'-P energy: -51.047 bonds (distance) P-C4' energy: -48.136 flat angles C4'-P-C4' energy: -53.554 flat angles P-C4'-P energy: -19.224 tors. eta vs tors. theta energy: -22.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1146.424810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.424810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.424810 (E_RNA) where: Base-Base interactions energy: -802.550 where: short stacking energy: -365.629 Base-Backbone interact. energy: 1.484 local terms energy: -345.358647 where: bonds (distance) C4'-P energy: -61.001 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -65.358 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -97.289 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: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1101.249357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.249357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.249357 (E_RNA) where: Base-Base interactions energy: -750.825 where: short stacking energy: -335.966 Base-Backbone interact. energy: -0.923 local terms energy: -349.501661 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -92.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1052.794012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.794012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.794012 (E_RNA) where: Base-Base interactions energy: -733.346 where: short stacking energy: -301.288 Base-Backbone interact. energy: -0.858 local terms energy: -318.590417 where: bonds (distance) C4'-P energy: -64.206 bonds (distance) P-C4' energy: -58.318 flat angles C4'-P-C4' energy: -65.456 flat angles P-C4'-P energy: -41.888 tors. eta vs tors. theta energy: -88.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1020.266359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.266359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.266359 (E_RNA) where: Base-Base interactions energy: -697.415 where: short stacking energy: -318.651 Base-Backbone interact. energy: -0.409 local terms energy: -322.442792 where: bonds (distance) C4'-P energy: -53.662 bonds (distance) P-C4' energy: -52.189 flat angles C4'-P-C4' energy: -77.077 flat angles P-C4'-P energy: -49.878 tors. eta vs tors. theta energy: -89.636 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: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -966.269361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.269361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.269361 (E_RNA) where: Base-Base interactions energy: -676.580 where: short stacking energy: -275.698 Base-Backbone interact. energy: -1.377 local terms energy: -288.312366 where: bonds (distance) C4'-P energy: -68.773 bonds (distance) P-C4' energy: -43.974 flat angles C4'-P-C4' energy: -68.441 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -63.618 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: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -913.053382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.053382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.053382 (E_RNA) where: Base-Base interactions energy: -618.158 where: short stacking energy: -295.081 Base-Backbone interact. energy: -0.363 local terms energy: -294.532842 where: bonds (distance) C4'-P energy: -57.140 bonds (distance) P-C4' energy: -52.381 flat angles C4'-P-C4' energy: -63.697 flat angles P-C4'-P energy: -37.591 tors. eta vs tors. theta energy: -83.722 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: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -920.016489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.016489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.016489 (E_RNA) where: Base-Base interactions energy: -636.968 where: short stacking energy: -277.592 Base-Backbone interact. energy: -0.601 local terms energy: -282.447380 where: bonds (distance) C4'-P energy: -54.497 bonds (distance) P-C4' energy: -58.512 flat angles C4'-P-C4' energy: -61.399 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -64.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -774.592418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.592418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.592418 (E_RNA) where: Base-Base interactions energy: -523.941 where: short stacking energy: -224.056 Base-Backbone interact. energy: -0.399 local terms energy: -250.252488 where: bonds (distance) C4'-P energy: -53.234 bonds (distance) P-C4' energy: -53.322 flat angles C4'-P-C4' energy: -66.091 flat angles P-C4'-P energy: -32.709 tors. eta vs tors. theta energy: -44.896 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: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -694.399205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.399205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.399205 (E_RNA) where: Base-Base interactions energy: -466.761 where: short stacking energy: -228.790 Base-Backbone interact. energy: -1.384 local terms energy: -226.254250 where: bonds (distance) C4'-P energy: -55.580 bonds (distance) P-C4' energy: -50.714 flat angles C4'-P-C4' energy: -45.358 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -38.386 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: 351 Temperature: 1.350000 Total energy: -538.135771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.135771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.135771 (E_RNA) where: Base-Base interactions energy: -348.728 where: short stacking energy: -146.970 Base-Backbone interact. energy: -0.165 local terms energy: -189.242991 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -44.643 flat angles C4'-P-C4' energy: -54.735 flat angles P-C4'-P energy: -18.097 tors. eta vs tors. theta energy: -21.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1142.837512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.837512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.837512 (E_RNA) where: Base-Base interactions energy: -797.385 where: short stacking energy: -349.124 Base-Backbone interact. energy: -1.923 local terms energy: -343.529289 where: bonds (distance) C4'-P energy: -51.131 bonds (distance) P-C4' energy: -67.479 flat angles C4'-P-C4' energy: -75.941 flat angles P-C4'-P energy: -50.379 tors. eta vs tors. theta energy: -98.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1110.096562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.096562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.096562 (E_RNA) where: Base-Base interactions energy: -771.193 where: short stacking energy: -343.102 Base-Backbone interact. energy: -0.709 local terms energy: -338.194165 where: bonds (distance) C4'-P energy: -64.907 bonds (distance) P-C4' energy: -65.086 flat angles C4'-P-C4' energy: -70.097 flat angles P-C4'-P energy: -43.407 tors. eta vs tors. theta energy: -94.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1068.852365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.852365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.852365 (E_RNA) where: Base-Base interactions energy: -752.213 where: short stacking energy: -319.135 Base-Backbone interact. energy: -0.313 local terms energy: -316.325658 where: bonds (distance) C4'-P energy: -59.759 bonds (distance) P-C4' energy: -56.002 flat angles C4'-P-C4' energy: -67.425 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -87.594 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1014.832270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.832270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.832270 (E_RNA) where: Base-Base interactions energy: -692.460 where: short stacking energy: -309.116 Base-Backbone interact. energy: -0.535 local terms energy: -321.837669 where: bonds (distance) C4'-P energy: -56.581 bonds (distance) P-C4' energy: -62.182 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -88.660 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: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -928.887944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.887944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.887944 (E_RNA) where: Base-Base interactions energy: -621.726 where: short stacking energy: -288.510 Base-Backbone interact. energy: 0.788 local terms energy: -307.949470 where: bonds (distance) C4'-P energy: -56.109 bonds (distance) P-C4' energy: -62.864 flat angles C4'-P-C4' energy: -66.410 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -80.881 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: 352 Temperature: 1.150000 Total energy: -919.523748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.523748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.523748 (E_RNA) where: Base-Base interactions energy: -613.206 where: short stacking energy: -271.122 Base-Backbone interact. energy: -1.109 local terms energy: -305.209138 where: bonds (distance) C4'-P energy: -64.343 bonds (distance) P-C4' energy: -61.067 flat angles C4'-P-C4' energy: -61.798 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -76.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -908.081656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.081656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.081656 (E_RNA) where: Base-Base interactions energy: -625.616 where: short stacking energy: -266.703 Base-Backbone interact. energy: -0.418 local terms energy: -282.047301 where: bonds (distance) C4'-P energy: -61.215 bonds (distance) P-C4' energy: -60.150 flat angles C4'-P-C4' energy: -60.465 flat angles P-C4'-P energy: -27.405 tors. eta vs tors. theta energy: -72.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -748.794605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.794605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.794605 (E_RNA) where: Base-Base interactions energy: -485.974 where: short stacking energy: -219.400 Base-Backbone interact. energy: -0.475 local terms energy: -262.345210 where: bonds (distance) C4'-P energy: -62.633 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -53.587 flat angles P-C4'-P energy: -34.361 tors. eta vs tors. theta energy: -50.634 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: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -677.813967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.813967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.813967 (E_RNA) where: Base-Base interactions energy: -452.617 where: short stacking energy: -192.977 Base-Backbone interact. energy: -1.129 local terms energy: -224.067332 where: bonds (distance) C4'-P energy: -52.392 bonds (distance) P-C4' energy: -50.773 flat angles C4'-P-C4' energy: -52.367 flat angles P-C4'-P energy: -23.830 tors. eta vs tors. theta energy: -44.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -464.975425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.975425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.975425 (E_RNA) where: Base-Base interactions energy: -290.188 where: short stacking energy: -145.214 Base-Backbone interact. energy: 2.097 local terms energy: -176.884493 where: bonds (distance) C4'-P energy: -52.367 bonds (distance) P-C4' energy: -59.950 flat angles C4'-P-C4' energy: -29.606 flat angles P-C4'-P energy: -25.115 tors. eta vs tors. theta energy: -9.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1131.875257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.875257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.875257 (E_RNA) where: Base-Base interactions energy: -796.196 where: short stacking energy: -341.134 Base-Backbone interact. energy: -1.111 local terms energy: -334.569175 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -62.219 flat angles C4'-P-C4' energy: -76.047 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: -90.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1120.483111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.483111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.483111 (E_RNA) where: Base-Base interactions energy: -777.128 where: short stacking energy: -346.243 Base-Backbone interact. energy: -0.433 local terms energy: -342.921504 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -53.501 flat angles C4'-P-C4' energy: -73.400 flat angles P-C4'-P energy: -42.953 tors. eta vs tors. theta energy: -99.982 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: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1052.378774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.378774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.378774 (E_RNA) where: Base-Base interactions energy: -742.484 where: short stacking energy: -315.710 Base-Backbone interact. energy: -1.036 local terms energy: -308.858927 where: bonds (distance) C4'-P energy: -60.055 bonds (distance) P-C4' energy: -56.961 flat angles C4'-P-C4' energy: -64.512 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -83.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1001.769708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.769708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.769708 (E_RNA) where: Base-Base interactions energy: -670.945 where: short stacking energy: -287.736 Base-Backbone interact. energy: -2.114 local terms energy: -328.711492 where: bonds (distance) C4'-P energy: -67.468 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -71.595 flat angles P-C4'-P energy: -42.637 tors. eta vs tors. theta energy: -85.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -924.820805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.820805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.820805 (E_RNA) where: Base-Base interactions energy: -629.472 where: short stacking energy: -307.014 Base-Backbone interact. energy: -2.193 local terms energy: -293.155447 where: bonds (distance) C4'-P energy: -60.375 bonds (distance) P-C4' energy: -52.570 flat angles C4'-P-C4' energy: -64.420 flat angles P-C4'-P energy: -33.292 tors. eta vs tors. theta energy: -82.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -954.181192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.181192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.181192 (E_RNA) where: Base-Base interactions energy: -662.854 where: short stacking energy: -295.368 Base-Backbone interact. energy: -0.659 local terms energy: -290.668300 where: bonds (distance) C4'-P energy: -52.328 bonds (distance) P-C4' energy: -56.099 flat angles C4'-P-C4' energy: -68.511 flat angles P-C4'-P energy: -30.490 tors. eta vs tors. theta energy: -83.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -871.767020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.767020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.767020 (E_RNA) where: Base-Base interactions energy: -604.800 where: short stacking energy: -259.713 Base-Backbone interact. energy: -0.713 local terms energy: -266.254350 where: bonds (distance) C4'-P energy: -53.662 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -51.210 flat angles P-C4'-P energy: -31.268 tors. eta vs tors. theta energy: -69.583 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: 8, replica: 8 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -728.962545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.962545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.962545 (E_RNA) where: Base-Base interactions energy: -467.281 where: short stacking energy: -219.420 Base-Backbone interact. energy: -2.049 local terms energy: -259.632521 where: bonds (distance) C4'-P energy: -55.343 bonds (distance) P-C4' energy: -55.882 flat angles C4'-P-C4' energy: -59.983 flat angles P-C4'-P energy: -41.730 tors. eta vs tors. theta energy: -46.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -688.529388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.529388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.529388 (E_RNA) where: Base-Base interactions energy: -459.135 where: short stacking energy: -193.928 Base-Backbone interact. energy: 1.325 local terms energy: -230.719987 where: bonds (distance) C4'-P energy: -60.011 bonds (distance) P-C4' energy: -54.999 flat angles C4'-P-C4' energy: -46.442 flat angles P-C4'-P energy: -28.312 tors. eta vs tors. theta energy: -40.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -507.829990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.829990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.829990 (E_RNA) where: Base-Base interactions energy: -303.486 where: short stacking energy: -131.799 Base-Backbone interact. energy: -0.796 local terms energy: -203.547912 where: bonds (distance) C4'-P energy: -49.291 bonds (distance) P-C4' energy: -55.958 flat angles C4'-P-C4' energy: -49.713 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1151.084736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.084736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.084736 (E_RNA) where: Base-Base interactions energy: -807.859 where: short stacking energy: -356.386 Base-Backbone interact. energy: -0.495 local terms energy: -342.730671 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -64.126 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -49.178 tors. eta vs tors. theta energy: -94.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1114.544445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.544445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.544445 (E_RNA) where: Base-Base interactions energy: -774.105 where: short stacking energy: -355.473 Base-Backbone interact. energy: -1.039 local terms energy: -339.400413 where: bonds (distance) C4'-P energy: -59.725 bonds (distance) P-C4' energy: -66.866 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -45.605 tors. eta vs tors. theta energy: -95.562 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: 354 Temperature: 1.000000 Total energy: -1060.866029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.866029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.866029 (E_RNA) where: Base-Base interactions energy: -717.934 where: short stacking energy: -314.882 Base-Backbone interact. energy: -1.646 local terms energy: -341.286345 where: bonds (distance) C4'-P energy: -66.915 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -73.923 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -84.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -984.834299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.834299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.834299 (E_RNA) where: Base-Base interactions energy: -661.984 where: short stacking energy: -298.312 Base-Backbone interact. energy: -1.752 local terms energy: -321.097849 where: bonds (distance) C4'-P energy: -71.985 bonds (distance) P-C4' energy: -65.437 flat angles C4'-P-C4' energy: -58.997 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: -90.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -904.395356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.395356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.395356 (E_RNA) where: Base-Base interactions energy: -600.416 where: short stacking energy: -286.163 Base-Backbone interact. energy: -2.302 local terms energy: -301.677122 where: bonds (distance) C4'-P energy: -59.240 bonds (distance) P-C4' energy: -65.340 flat angles C4'-P-C4' energy: -64.271 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -71.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -915.599828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.599828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.599828 (E_RNA) where: Base-Base interactions energy: -629.880 where: short stacking energy: -271.676 Base-Backbone interact. energy: 0.120 local terms energy: -285.839858 where: bonds (distance) C4'-P energy: -49.075 bonds (distance) P-C4' energy: -60.753 flat angles C4'-P-C4' energy: -61.286 flat angles P-C4'-P energy: -45.433 tors. eta vs tors. theta energy: -69.291 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: 354 Temperature: 1.200000 Total energy: -861.613138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.613138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.613138 (E_RNA) where: Base-Base interactions energy: -584.901 where: short stacking energy: -270.411 Base-Backbone interact. energy: -0.650 local terms energy: -276.063045 where: bonds (distance) C4'-P energy: -50.953 bonds (distance) P-C4' energy: -50.248 flat angles C4'-P-C4' energy: -62.808 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -68.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -786.448107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.448107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.448107 (E_RNA) where: Base-Base interactions energy: -522.617 where: short stacking energy: -237.560 Base-Backbone interact. energy: -0.901 local terms energy: -262.929764 where: bonds (distance) C4'-P energy: -63.387 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -51.273 flat angles P-C4'-P energy: -38.689 tors. eta vs tors. theta energy: -56.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -646.344221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.344221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.344221 (E_RNA) where: Base-Base interactions energy: -416.433 where: short stacking energy: -188.870 Base-Backbone interact. energy: 1.000 local terms energy: -230.910950 where: bonds (distance) C4'-P energy: -52.830 bonds (distance) P-C4' energy: -52.153 flat angles C4'-P-C4' energy: -56.865 flat angles P-C4'-P energy: -31.019 tors. eta vs tors. theta energy: -38.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -538.284063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.284063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.284063 (E_RNA) where: Base-Base interactions energy: -317.481 where: short stacking energy: -173.436 Base-Backbone interact. energy: -0.149 local terms energy: -220.653711 where: bonds (distance) C4'-P energy: -54.618 bonds (distance) P-C4' energy: -54.170 flat angles C4'-P-C4' energy: -55.473 flat angles P-C4'-P energy: -22.407 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: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1158.501038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.501038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.501038 (E_RNA) where: Base-Base interactions energy: -819.720 where: short stacking energy: -354.012 Base-Backbone interact. energy: -1.205 local terms energy: -337.576390 where: bonds (distance) C4'-P energy: -68.582 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -67.881 flat angles P-C4'-P energy: -40.992 tors. eta vs tors. theta energy: -96.411 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: 355 Temperature: 0.950000 Total energy: -1120.785900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.785900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.785900 (E_RNA) where: Base-Base interactions energy: -774.269 where: short stacking energy: -336.573 Base-Backbone interact. energy: -0.845 local terms energy: -345.672179 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -66.715 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -49.097 tors. eta vs tors. theta energy: -97.648 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: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1049.646049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.646049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.646049 (E_RNA) where: Base-Base interactions energy: -725.081 where: short stacking energy: -304.182 Base-Backbone interact. energy: 0.224 local terms energy: -324.789361 where: bonds (distance) C4'-P energy: -65.714 bonds (distance) P-C4' energy: -68.359 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -38.476 tors. eta vs tors. theta energy: -86.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1022.525377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.525377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.525377 (E_RNA) where: Base-Base interactions energy: -722.909 where: short stacking energy: -347.074 Base-Backbone interact. energy: -1.121 local terms energy: -298.495368 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -55.359 flat angles C4'-P-C4' energy: -61.309 flat angles P-C4'-P energy: -30.578 tors. eta vs tors. theta energy: -89.894 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: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -929.881659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.881659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.881659 (E_RNA) where: Base-Base interactions energy: -602.233 where: short stacking energy: -304.983 Base-Backbone interact. energy: -0.160 local terms energy: -327.488823 where: bonds (distance) C4'-P energy: -59.762 bonds (distance) P-C4' energy: -67.790 flat angles C4'-P-C4' energy: -65.836 flat angles P-C4'-P energy: -42.050 tors. eta vs tors. theta energy: -92.051 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: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -927.964560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.964560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.964560 (E_RNA) where: Base-Base interactions energy: -640.395 where: short stacking energy: -271.674 Base-Backbone interact. energy: -0.568 local terms energy: -287.002276 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -58.228 flat angles C4'-P-C4' energy: -66.740 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: -68.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -883.263774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.263774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.263774 (E_RNA) where: Base-Base interactions energy: -593.529 where: short stacking energy: -265.245 Base-Backbone interact. energy: 2.689 local terms energy: -292.423840 where: bonds (distance) C4'-P energy: -52.470 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -62.985 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -74.847 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: 8, replica: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -797.276265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.276265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.276265 (E_RNA) where: Base-Base interactions energy: -530.083 where: short stacking energy: -237.963 Base-Backbone interact. energy: -1.140 local terms energy: -266.053239 where: bonds (distance) C4'-P energy: -45.766 bonds (distance) P-C4' energy: -63.771 flat angles C4'-P-C4' energy: -56.870 flat angles P-C4'-P energy: -36.169 tors. eta vs tors. theta energy: -63.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -630.033162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.033162 (E_RNA) where: Base-Base interactions energy: -409.895 where: short stacking energy: -186.962 Base-Backbone interact. energy: -0.567 local terms energy: -219.571706 where: bonds (distance) C4'-P energy: -46.959 bonds (distance) P-C4' energy: -48.459 flat angles C4'-P-C4' energy: -58.146 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -29.791 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: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -527.362728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.362728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.362728 (E_RNA) where: Base-Base interactions energy: -313.794 where: short stacking energy: -167.879 Base-Backbone interact. energy: -1.258 local terms energy: -212.311254 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -51.487 flat angles C4'-P-C4' energy: -48.534 flat angles P-C4'-P energy: -33.971 tors. eta vs tors. theta energy: -19.488 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: 356 Temperature: 0.900000 Total energy: -1155.448374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.448374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.448374 (E_RNA) where: Base-Base interactions energy: -802.843 where: short stacking energy: -349.269 Base-Backbone interact. energy: -1.903 local terms energy: -350.702317 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -71.712 flat angles C4'-P-C4' energy: -74.060 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -95.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1120.844370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.844370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.844370 (E_RNA) where: Base-Base interactions energy: -778.225 where: short stacking energy: -357.390 Base-Backbone interact. energy: 1.887 local terms energy: -344.506060 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -66.736 flat angles C4'-P-C4' energy: -76.565 flat angles P-C4'-P energy: -46.165 tors. eta vs tors. theta energy: -97.966 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: 356 Temperature: 1.000000 Total energy: -1057.999181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.999181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.999181 (E_RNA) where: Base-Base interactions energy: -715.833 where: short stacking energy: -334.667 Base-Backbone interact. energy: -0.157 local terms energy: -342.009337 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -92.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1013.151645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.151645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.151645 (E_RNA) where: Base-Base interactions energy: -698.394 where: short stacking energy: -292.462 Base-Backbone interact. energy: -0.408 local terms energy: -314.349862 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -72.759 flat angles P-C4'-P energy: -42.740 tors. eta vs tors. theta energy: -78.404 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: 356 Temperature: 1.100000 Total energy: -956.442220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.442220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.442220 (E_RNA) where: Base-Base interactions energy: -660.094 where: short stacking energy: -276.476 Base-Backbone interact. energy: -1.225 local terms energy: -295.122530 where: bonds (distance) C4'-P energy: -47.540 bonds (distance) P-C4' energy: -53.073 flat angles C4'-P-C4' energy: -74.282 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: -83.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -887.452841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.452841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.452841 (E_RNA) where: Base-Base interactions energy: -587.883 where: short stacking energy: -276.059 Base-Backbone interact. energy: 0.818 local terms energy: -300.388208 where: bonds (distance) C4'-P energy: -48.678 bonds (distance) P-C4' energy: -69.807 flat angles C4'-P-C4' energy: -60.429 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -71.935 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: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -919.312933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.312933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.312933 (E_RNA) where: Base-Base interactions energy: -653.382 where: short stacking energy: -289.480 Base-Backbone interact. energy: -0.068 local terms energy: -265.862629 where: bonds (distance) C4'-P energy: -49.157 bonds (distance) P-C4' energy: -53.959 flat angles C4'-P-C4' energy: -62.910 flat angles P-C4'-P energy: -22.161 tors. eta vs tors. theta energy: -77.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -759.165918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.165918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.165918 (E_RNA) where: Base-Base interactions energy: -520.787 where: short stacking energy: -236.358 Base-Backbone interact. energy: -0.155 local terms energy: -238.224353 where: bonds (distance) C4'-P energy: -40.012 bonds (distance) P-C4' energy: -48.066 flat angles C4'-P-C4' energy: -65.106 flat angles P-C4'-P energy: -35.944 tors. eta vs tors. theta energy: -49.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -647.645666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.645666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.645666 (E_RNA) where: Base-Base interactions energy: -418.745 where: short stacking energy: -192.864 Base-Backbone interact. energy: -0.660 local terms energy: -228.240749 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -55.817 flat angles C4'-P-C4' energy: -49.670 flat angles P-C4'-P energy: -22.777 tors. eta vs tors. theta energy: -44.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -553.182252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.182252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.182252 (E_RNA) where: Base-Base interactions energy: -323.215 where: short stacking energy: -156.717 Base-Backbone interact. energy: 0.150 local terms energy: -230.118056 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -38.080 flat angles P-C4'-P energy: -33.739 tors. eta vs tors. theta energy: -34.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1128.509972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.509972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.509972 (E_RNA) where: Base-Base interactions energy: -782.606 where: short stacking energy: -344.001 Base-Backbone interact. energy: 1.086 local terms energy: -346.989384 where: bonds (distance) C4'-P energy: -57.696 bonds (distance) P-C4' energy: -60.430 flat angles C4'-P-C4' energy: -76.295 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -98.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1114.243864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.243864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.243864 (E_RNA) where: Base-Base interactions energy: -765.025 where: short stacking energy: -348.041 Base-Backbone interact. energy: -0.184 local terms energy: -349.035367 where: bonds (distance) C4'-P energy: -57.522 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -51.564 tors. eta vs tors. theta energy: -101.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1044.558000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.558000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.558000 (E_RNA) where: Base-Base interactions energy: -687.205 where: short stacking energy: -334.777 Base-Backbone interact. energy: -0.287 local terms energy: -357.066629 where: bonds (distance) C4'-P energy: -61.701 bonds (distance) P-C4' energy: -69.924 flat angles C4'-P-C4' energy: -71.141 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -103.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1013.922837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.922837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.922837 (E_RNA) where: Base-Base interactions energy: -717.028 where: short stacking energy: -313.975 Base-Backbone interact. energy: -2.210 local terms energy: -294.685261 where: bonds (distance) C4'-P energy: -54.140 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -51.399 flat angles P-C4'-P energy: -42.273 tors. eta vs tors. theta energy: -84.906 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: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -925.183383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.183383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.183383 (E_RNA) where: Base-Base interactions energy: -622.243 where: short stacking energy: -272.444 Base-Backbone interact. energy: -0.449 local terms energy: -302.490806 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -71.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -916.842888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.842888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.842888 (E_RNA) where: Base-Base interactions energy: -633.282 where: short stacking energy: -264.651 Base-Backbone interact. energy: -0.124 local terms energy: -283.436710 where: bonds (distance) C4'-P energy: -54.520 bonds (distance) P-C4' energy: -59.847 flat angles C4'-P-C4' energy: -55.326 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -73.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -885.582634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.582634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.582634 (E_RNA) where: Base-Base interactions energy: -584.828 where: short stacking energy: -268.143 Base-Backbone interact. energy: -0.718 local terms energy: -300.036360 where: bonds (distance) C4'-P energy: -61.855 bonds (distance) P-C4' energy: -57.249 flat angles C4'-P-C4' energy: -69.803 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -74.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -766.562123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.562123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.562123 (E_RNA) where: Base-Base interactions energy: -501.132 where: short stacking energy: -229.442 Base-Backbone interact. energy: -1.889 local terms energy: -263.541400 where: bonds (distance) C4'-P energy: -55.455 bonds (distance) P-C4' energy: -63.523 flat angles C4'-P-C4' energy: -57.725 flat angles P-C4'-P energy: -30.332 tors. eta vs tors. theta energy: -56.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -650.638497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.638497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.638497 (E_RNA) where: Base-Base interactions energy: -406.065 where: short stacking energy: -196.308 Base-Backbone interact. energy: 1.684 local terms energy: -246.257155 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -54.043 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -44.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -490.773423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.773423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.773423 (E_RNA) where: Base-Base interactions energy: -277.836 where: short stacking energy: -138.178 Base-Backbone interact. energy: 0.570 local terms energy: -213.507823 where: bonds (distance) C4'-P energy: -47.707 bonds (distance) P-C4' energy: -56.166 flat angles C4'-P-C4' energy: -59.418 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -8.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1135.746646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.746646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.746646 (E_RNA) where: Base-Base interactions energy: -776.075 where: short stacking energy: -351.414 Base-Backbone interact. energy: -0.420 local terms energy: -359.251410 where: bonds (distance) C4'-P energy: -67.619 bonds (distance) P-C4' energy: -68.839 flat angles C4'-P-C4' energy: -78.795 flat angles P-C4'-P energy: -43.183 tors. eta vs tors. theta energy: -100.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1151.884933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.884933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.884933 (E_RNA) where: Base-Base interactions energy: -811.554 where: short stacking energy: -347.637 Base-Backbone interact. energy: 0.741 local terms energy: -341.071824 where: bonds (distance) C4'-P energy: -62.477 bonds (distance) P-C4' energy: -69.089 flat angles C4'-P-C4' energy: -70.642 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: -98.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1065.642124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.642124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.642124 (E_RNA) where: Base-Base interactions energy: -742.541 where: short stacking energy: -344.236 Base-Backbone interact. energy: -1.091 local terms energy: -322.010159 where: bonds (distance) C4'-P energy: -53.572 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -58.997 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -99.692 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: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1031.993010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.993010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.993010 (E_RNA) where: Base-Base interactions energy: -715.361 where: short stacking energy: -314.106 Base-Backbone interact. energy: -2.046 local terms energy: -314.586899 where: bonds (distance) C4'-P energy: -67.144 bonds (distance) P-C4' energy: -53.279 flat angles C4'-P-C4' energy: -60.357 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -88.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -962.729738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.729738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.729738 (E_RNA) where: Base-Base interactions energy: -660.212 where: short stacking energy: -299.684 Base-Backbone interact. energy: -0.893 local terms energy: -301.624283 where: bonds (distance) C4'-P energy: -53.742 bonds (distance) P-C4' energy: -57.188 flat angles C4'-P-C4' energy: -58.112 flat angles P-C4'-P energy: -46.264 tors. eta vs tors. theta energy: -86.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -930.724359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.724359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.724359 (E_RNA) where: Base-Base interactions energy: -644.110 where: short stacking energy: -271.184 Base-Backbone interact. energy: -0.090 local terms energy: -286.523923 where: bonds (distance) C4'-P energy: -49.542 bonds (distance) P-C4' energy: -53.498 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -78.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -838.351964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.351964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.351964 (E_RNA) where: Base-Base interactions energy: -570.372 where: short stacking energy: -256.860 Base-Backbone interact. energy: -0.512 local terms energy: -267.468396 where: bonds (distance) C4'-P energy: -51.905 bonds (distance) P-C4' energy: -51.496 flat angles C4'-P-C4' energy: -67.008 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: -62.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -782.008382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.008382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.008382 (E_RNA) where: Base-Base interactions energy: -515.212 where: short stacking energy: -221.149 Base-Backbone interact. energy: 2.569 local terms energy: -269.365486 where: bonds (distance) C4'-P energy: -59.958 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -57.018 flat angles P-C4'-P energy: -40.254 tors. eta vs tors. theta energy: -53.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -670.121531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.121531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.121531 (E_RNA) where: Base-Base interactions energy: -435.781 where: short stacking energy: -208.091 Base-Backbone interact. energy: -0.887 local terms energy: -233.453068 where: bonds (distance) C4'-P energy: -51.409 bonds (distance) P-C4' energy: -64.704 flat angles C4'-P-C4' energy: -42.623 flat angles P-C4'-P energy: -27.502 tors. eta vs tors. theta energy: -47.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -471.068087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.068087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.068087 (E_RNA) where: Base-Base interactions energy: -279.723 where: short stacking energy: -144.840 Base-Backbone interact. energy: -1.912 local terms energy: -189.433067 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -53.511 flat angles C4'-P-C4' energy: -36.243 flat angles P-C4'-P energy: -29.661 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: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1124.022416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.022416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.022416 (E_RNA) where: Base-Base interactions energy: -765.978 where: short stacking energy: -346.831 Base-Backbone interact. energy: -0.395 local terms energy: -357.648556 where: bonds (distance) C4'-P energy: -62.469 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -73.221 flat angles P-C4'-P energy: -56.996 tors. eta vs tors. theta energy: -97.567 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: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1144.956944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.956944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.956944 (E_RNA) where: Base-Base interactions energy: -808.611 where: short stacking energy: -349.675 Base-Backbone interact. energy: 3.492 local terms energy: -339.837404 where: bonds (distance) C4'-P energy: -66.716 bonds (distance) P-C4' energy: -55.559 flat angles C4'-P-C4' energy: -70.047 flat angles P-C4'-P energy: -45.220 tors. eta vs tors. theta energy: -102.294 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: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1016.544617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.544617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.544617 (E_RNA) where: Base-Base interactions energy: -692.106 where: short stacking energy: -295.641 Base-Backbone interact. energy: -0.780 local terms energy: -323.658812 where: bonds (distance) C4'-P energy: -68.201 bonds (distance) P-C4' energy: -65.358 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -79.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1004.105580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.105580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.105580 (E_RNA) where: Base-Base interactions energy: -686.420 where: short stacking energy: -296.033 Base-Backbone interact. energy: -0.996 local terms energy: -316.689332 where: bonds (distance) C4'-P energy: -62.101 bonds (distance) P-C4' energy: -56.961 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -43.111 tors. eta vs tors. theta energy: -88.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1017.340041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.340041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.340041 (E_RNA) where: Base-Base interactions energy: -705.939 where: short stacking energy: -309.128 Base-Backbone interact. energy: -0.495 local terms energy: -310.906602 where: bonds (distance) C4'-P energy: -61.074 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -27.205 tors. eta vs tors. theta energy: -89.263 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: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -926.906968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.906968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.906968 (E_RNA) where: Base-Base interactions energy: -649.904 where: short stacking energy: -270.414 Base-Backbone interact. energy: -0.433 local terms energy: -276.569292 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -52.217 flat angles C4'-P-C4' energy: -55.723 flat angles P-C4'-P energy: -32.389 tors. eta vs tors. theta energy: -72.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -840.200609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.200609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.200609 (E_RNA) where: Base-Base interactions energy: -557.782 where: short stacking energy: -255.301 Base-Backbone interact. energy: -0.491 local terms energy: -281.926917 where: bonds (distance) C4'-P energy: -62.621 bonds (distance) P-C4' energy: -52.754 flat angles C4'-P-C4' energy: -45.711 flat angles P-C4'-P energy: -53.466 tors. eta vs tors. theta energy: -67.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -823.540999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.540999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.540999 (E_RNA) where: Base-Base interactions energy: -553.365 where: short stacking energy: -247.472 Base-Backbone interact. energy: -0.852 local terms energy: -269.324678 where: bonds (distance) C4'-P energy: -52.311 bonds (distance) P-C4' energy: -51.671 flat angles C4'-P-C4' energy: -63.740 flat angles P-C4'-P energy: -36.493 tors. eta vs tors. theta energy: -65.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -656.067568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.067568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.067568 (E_RNA) where: Base-Base interactions energy: -435.165 where: short stacking energy: -191.553 Base-Backbone interact. energy: -1.154 local terms energy: -219.748592 where: bonds (distance) C4'-P energy: -45.570 bonds (distance) P-C4' energy: -54.220 flat angles C4'-P-C4' energy: -55.789 flat angles P-C4'-P energy: -27.256 tors. eta vs tors. theta energy: -36.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -493.888683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.888683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.888683 (E_RNA) where: Base-Base interactions energy: -289.126 where: short stacking energy: -141.150 Base-Backbone interact. energy: -0.133 local terms energy: -204.629402 where: bonds (distance) C4'-P energy: -52.510 bonds (distance) P-C4' energy: -40.064 flat angles C4'-P-C4' energy: -52.996 flat angles P-C4'-P energy: -38.486 tors. eta vs tors. theta energy: -20.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1174.170105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.170105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.170105 (E_RNA) where: Base-Base interactions energy: -812.683 where: short stacking energy: -366.463 Base-Backbone interact. energy: -0.778 local terms energy: -360.708974 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -68.401 flat angles C4'-P-C4' energy: -77.123 flat angles P-C4'-P energy: -45.942 tors. eta vs tors. theta energy: -99.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1111.110537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.110537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.110537 (E_RNA) where: Base-Base interactions energy: -766.723 where: short stacking energy: -341.440 Base-Backbone interact. energy: -0.377 local terms energy: -344.010478 where: bonds (distance) C4'-P energy: -62.164 bonds (distance) P-C4' energy: -72.920 flat angles C4'-P-C4' energy: -73.384 flat angles P-C4'-P energy: -40.545 tors. eta vs tors. theta energy: -94.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1078.381025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.381025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.381025 (E_RNA) where: Base-Base interactions energy: -740.342 where: short stacking energy: -334.807 Base-Backbone interact. energy: -1.583 local terms energy: -336.456625 where: bonds (distance) C4'-P energy: -59.236 bonds (distance) P-C4' energy: -61.164 flat angles C4'-P-C4' energy: -71.713 flat angles P-C4'-P energy: -46.530 tors. eta vs tors. theta energy: -97.814 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: 7 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -977.304668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.304668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.304668 (E_RNA) where: Base-Base interactions energy: -664.746 where: short stacking energy: -293.676 Base-Backbone interact. energy: -0.505 local terms energy: -312.053814 where: bonds (distance) C4'-P energy: -57.554 bonds (distance) P-C4' energy: -63.956 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -81.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -980.453826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.453826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.453826 (E_RNA) where: Base-Base interactions energy: -669.481 where: short stacking energy: -270.337 Base-Backbone interact. energy: 0.481 local terms energy: -311.453838 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -53.834 flat angles C4'-P-C4' energy: -72.040 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -72.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -906.567668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.567668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.567668 (E_RNA) where: Base-Base interactions energy: -626.185 where: short stacking energy: -261.717 Base-Backbone interact. energy: -1.821 local terms energy: -278.561043 where: bonds (distance) C4'-P energy: -62.217 bonds (distance) P-C4' energy: -56.961 flat angles C4'-P-C4' energy: -61.749 flat angles P-C4'-P energy: -39.994 tors. eta vs tors. theta energy: -57.640 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: 360 Temperature: 1.200000 Total energy: -790.328703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.328703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.328703 (E_RNA) where: Base-Base interactions energy: -521.478 where: short stacking energy: -237.336 Base-Backbone interact. energy: 0.307 local terms energy: -269.158121 where: bonds (distance) C4'-P energy: -59.718 bonds (distance) P-C4' energy: -50.584 flat angles C4'-P-C4' energy: -60.395 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: -54.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -820.727007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.727007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.727007 (E_RNA) where: Base-Base interactions energy: -568.132 where: short stacking energy: -247.956 Base-Backbone interact. energy: 0.618 local terms energy: -253.212821 where: bonds (distance) C4'-P energy: -59.373 bonds (distance) P-C4' energy: -42.145 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -64.226 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: 360 Temperature: 1.300000 Total energy: -676.456192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.456192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.456192 (E_RNA) where: Base-Base interactions energy: -422.826 where: short stacking energy: -192.337 Base-Backbone interact. energy: 0.496 local terms energy: -254.126518 where: bonds (distance) C4'-P energy: -58.950 bonds (distance) P-C4' energy: -61.746 flat angles C4'-P-C4' energy: -54.584 flat angles P-C4'-P energy: -36.845 tors. eta vs tors. theta energy: -42.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -564.866043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.866043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.866043 (E_RNA) where: Base-Base interactions energy: -353.224 where: short stacking energy: -157.668 Base-Backbone interact. energy: -1.504 local terms energy: -210.138021 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -41.339 flat angles C4'-P-C4' energy: -47.011 flat angles P-C4'-P energy: -37.932 tors. eta vs tors. theta energy: -34.106 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1160.453326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.453326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.453326 (E_RNA) where: Base-Base interactions energy: -807.651 where: short stacking energy: -356.134 Base-Backbone interact. energy: -0.928 local terms energy: -351.874449 where: bonds (distance) C4'-P energy: -56.776 bonds (distance) P-C4' energy: -66.870 flat angles C4'-P-C4' energy: -78.595 flat angles P-C4'-P energy: -52.162 tors. eta vs tors. theta energy: -97.471 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: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1117.455709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.455709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.455709 (E_RNA) where: Base-Base interactions energy: -769.319 where: short stacking energy: -342.715 Base-Backbone interact. energy: -1.410 local terms energy: -346.727153 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -70.123 flat angles C4'-P-C4' energy: -78.686 flat angles P-C4'-P energy: -44.098 tors. eta vs tors. theta energy: -93.637 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: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1066.808261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.808261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.808261 (E_RNA) where: Base-Base interactions energy: -733.001 where: short stacking energy: -345.651 Base-Backbone interact. energy: -0.226 local terms energy: -333.580794 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -57.796 flat angles C4'-P-C4' energy: -71.497 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: -102.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1015.941622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.941622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.941622 (E_RNA) where: Base-Base interactions energy: -695.813 where: short stacking energy: -305.991 Base-Backbone interact. energy: -0.139 local terms energy: -319.989765 where: bonds (distance) C4'-P energy: -57.447 bonds (distance) P-C4' energy: -68.397 flat angles C4'-P-C4' energy: -68.155 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -84.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -945.586030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.586030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.586030 (E_RNA) where: Base-Base interactions energy: -637.435 where: short stacking energy: -286.543 Base-Backbone interact. energy: -0.646 local terms energy: -307.504796 where: bonds (distance) C4'-P energy: -45.494 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -70.855 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -80.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -930.736557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.736557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.736557 (E_RNA) where: Base-Base interactions energy: -638.761 where: short stacking energy: -278.820 Base-Backbone interact. energy: -1.558 local terms energy: -290.417356 where: bonds (distance) C4'-P energy: -50.673 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -65.879 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -72.467 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: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -851.839000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.839000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.839000 (E_RNA) where: Base-Base interactions energy: -563.130 where: short stacking energy: -260.273 Base-Backbone interact. energy: 0.794 local terms energy: -289.503814 where: bonds (distance) C4'-P energy: -61.065 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -70.589 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -63.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -842.842891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.842891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.842891 (E_RNA) where: Base-Base interactions energy: -552.710 where: short stacking energy: -243.963 Base-Backbone interact. energy: -1.406 local terms energy: -288.726720 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -62.390 flat angles C4'-P-C4' energy: -65.987 flat angles P-C4'-P energy: -33.194 tors. eta vs tors. theta energy: -60.085 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: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -643.782859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.782859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.782859 (E_RNA) where: Base-Base interactions energy: -431.947 where: short stacking energy: -186.800 Base-Backbone interact. energy: -1.344 local terms energy: -210.491997 where: bonds (distance) C4'-P energy: -42.733 bonds (distance) P-C4' energy: -48.363 flat angles C4'-P-C4' energy: -53.608 flat angles P-C4'-P energy: -28.293 tors. eta vs tors. theta energy: -37.495 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: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -563.491600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.491600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.491600 (E_RNA) where: Base-Base interactions energy: -345.478 where: short stacking energy: -152.769 Base-Backbone interact. energy: -0.374 local terms energy: -217.639492 where: bonds (distance) C4'-P energy: -54.183 bonds (distance) P-C4' energy: -52.327 flat angles C4'-P-C4' energy: -48.461 flat angles P-C4'-P energy: -38.755 tors. eta vs tors. theta energy: -23.914 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: 362 Temperature: 0.900000 Total energy: -1160.733705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.733705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.733705 (E_RNA) where: Base-Base interactions energy: -818.378 where: short stacking energy: -361.465 Base-Backbone interact. energy: 0.588 local terms energy: -342.944314 where: bonds (distance) C4'-P energy: -57.310 bonds (distance) P-C4' energy: -68.362 flat angles C4'-P-C4' energy: -72.187 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -96.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1117.969327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.969327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.969327 (E_RNA) where: Base-Base interactions energy: -764.714 where: short stacking energy: -333.061 Base-Backbone interact. energy: 0.129 local terms energy: -353.384144 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -63.194 flat angles C4'-P-C4' energy: -76.166 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -105.862 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: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1067.735858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.735858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.735858 (E_RNA) where: Base-Base interactions energy: -723.693 where: short stacking energy: -325.051 Base-Backbone interact. energy: 0.390 local terms energy: -344.433681 where: bonds (distance) C4'-P energy: -67.600 bonds (distance) P-C4' energy: -65.265 flat angles C4'-P-C4' energy: -72.680 flat angles P-C4'-P energy: -40.583 tors. eta vs tors. theta energy: -98.306 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: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1015.150242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.150242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.150242 (E_RNA) where: Base-Base interactions energy: -701.002 where: short stacking energy: -294.700 Base-Backbone interact. energy: -1.266 local terms energy: -312.881452 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -63.118 flat angles C4'-P-C4' energy: -58.104 flat angles P-C4'-P energy: -41.521 tors. eta vs tors. theta energy: -89.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -948.730673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.730673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.730673 (E_RNA) where: Base-Base interactions energy: -657.458 where: short stacking energy: -280.139 Base-Backbone interact. energy: -1.490 local terms energy: -289.783387 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -56.757 flat angles P-C4'-P energy: -35.921 tors. eta vs tors. theta energy: -70.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -906.139154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.139154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.139154 (E_RNA) where: Base-Base interactions energy: -627.163 where: short stacking energy: -261.106 Base-Backbone interact. energy: -0.441 local terms energy: -278.534890 where: bonds (distance) C4'-P energy: -61.807 bonds (distance) P-C4' energy: -60.336 flat angles C4'-P-C4' energy: -61.438 flat angles P-C4'-P energy: -35.122 tors. eta vs tors. theta energy: -59.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -867.804515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.804515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.804515 (E_RNA) where: Base-Base interactions energy: -598.807 where: short stacking energy: -271.923 Base-Backbone interact. energy: 1.380 local terms energy: -270.377041 where: bonds (distance) C4'-P energy: -50.087 bonds (distance) P-C4' energy: -53.921 flat angles C4'-P-C4' energy: -58.434 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -67.769 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: 362 Temperature: 1.250000 Total energy: -806.789503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.789503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.789503 (E_RNA) where: Base-Base interactions energy: -541.586 where: short stacking energy: -238.957 Base-Backbone interact. energy: -0.534 local terms energy: -264.669745 where: bonds (distance) C4'-P energy: -51.453 bonds (distance) P-C4' energy: -58.004 flat angles C4'-P-C4' energy: -56.202 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -60.192 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: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -665.077715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.077715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.077715 (E_RNA) where: Base-Base interactions energy: -443.294 where: short stacking energy: -183.153 Base-Backbone interact. energy: 1.425 local terms energy: -223.209576 where: bonds (distance) C4'-P energy: -56.058 bonds (distance) P-C4' energy: -50.114 flat angles C4'-P-C4' energy: -46.282 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -34.696 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: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -526.945134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.945134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.945134 (E_RNA) where: Base-Base interactions energy: -309.127 where: short stacking energy: -155.633 Base-Backbone interact. energy: -2.833 local terms energy: -214.985387 where: bonds (distance) C4'-P energy: -48.430 bonds (distance) P-C4' energy: -60.279 flat angles C4'-P-C4' energy: -48.237 flat angles P-C4'-P energy: -38.590 tors. eta vs tors. theta energy: -19.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1143.785145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.785145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.785145 (E_RNA) where: Base-Base interactions energy: -792.804 where: short stacking energy: -344.440 Base-Backbone interact. energy: -0.374 local terms energy: -350.606641 where: bonds (distance) C4'-P energy: -56.923 bonds (distance) P-C4' energy: -74.557 flat angles C4'-P-C4' energy: -68.746 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: -94.782 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: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1124.703783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.703783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.703783 (E_RNA) where: Base-Base interactions energy: -784.193 where: short stacking energy: -355.137 Base-Backbone interact. energy: -1.252 local terms energy: -339.258932 where: bonds (distance) C4'-P energy: -62.426 bonds (distance) P-C4' energy: -63.017 flat angles C4'-P-C4' energy: -70.467 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -99.058 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: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1055.938854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.938854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.938854 (E_RNA) where: Base-Base interactions energy: -722.254 where: short stacking energy: -322.507 Base-Backbone interact. energy: -0.682 local terms energy: -333.002734 where: bonds (distance) C4'-P energy: -60.668 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -63.282 flat angles P-C4'-P energy: -47.309 tors. eta vs tors. theta energy: -95.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1038.575064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.575064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.575064 (E_RNA) where: Base-Base interactions energy: -738.807 where: short stacking energy: -316.168 Base-Backbone interact. energy: -2.110 local terms energy: -297.657373 where: bonds (distance) C4'-P energy: -47.124 bonds (distance) P-C4' energy: -54.978 flat angles C4'-P-C4' energy: -64.012 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -84.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -971.873536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.873536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.873536 (E_RNA) where: Base-Base interactions energy: -648.859 where: short stacking energy: -276.624 Base-Backbone interact. energy: 0.895 local terms energy: -323.908701 where: bonds (distance) C4'-P energy: -65.832 bonds (distance) P-C4' energy: -66.770 flat angles C4'-P-C4' energy: -66.118 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -79.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -882.846036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.846036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.846036 (E_RNA) where: Base-Base interactions energy: -599.352 where: short stacking energy: -275.710 Base-Backbone interact. energy: -0.082 local terms energy: -283.411779 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -58.212 flat angles C4'-P-C4' energy: -56.075 flat angles P-C4'-P energy: -29.747 tors. eta vs tors. theta energy: -72.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -855.005649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.005649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.005649 (E_RNA) where: Base-Base interactions energy: -596.644 where: short stacking energy: -259.570 Base-Backbone interact. energy: 1.114 local terms energy: -259.475427 where: bonds (distance) C4'-P energy: -52.881 bonds (distance) P-C4' energy: -57.713 flat angles C4'-P-C4' energy: -51.812 flat angles P-C4'-P energy: -31.455 tors. eta vs tors. theta energy: -65.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -704.157425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.157425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.157425 (E_RNA) where: Base-Base interactions energy: -459.386 where: short stacking energy: -219.975 Base-Backbone interact. energy: -0.876 local terms energy: -243.895583 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -54.946 flat angles C4'-P-C4' energy: -57.851 flat angles P-C4'-P energy: -32.146 tors. eta vs tors. theta energy: -42.476 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: 363 Temperature: 1.300000 Total energy: -727.238209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.238209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.238209 (E_RNA) where: Base-Base interactions energy: -478.900 where: short stacking energy: -216.010 Base-Backbone interact. energy: -2.526 local terms energy: -245.812302 where: bonds (distance) C4'-P energy: -39.095 bonds (distance) P-C4' energy: -59.091 flat angles C4'-P-C4' energy: -51.209 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: -54.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -585.397099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.397099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.397099 (E_RNA) where: Base-Base interactions energy: -368.527 where: short stacking energy: -172.513 Base-Backbone interact. energy: -0.860 local terms energy: -216.010244 where: bonds (distance) C4'-P energy: -44.736 bonds (distance) P-C4' energy: -62.781 flat angles C4'-P-C4' energy: -45.680 flat angles P-C4'-P energy: -33.855 tors. eta vs tors. theta energy: -28.957 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: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1163.174888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.174888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.174888 (E_RNA) where: Base-Base interactions energy: -807.050 where: short stacking energy: -352.441 Base-Backbone interact. energy: -1.333 local terms energy: -354.791937 where: bonds (distance) C4'-P energy: -71.993 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -74.973 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -94.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1108.441050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.441050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.441050 (E_RNA) where: Base-Base interactions energy: -786.389 where: short stacking energy: -345.445 Base-Backbone interact. energy: -0.463 local terms energy: -321.589451 where: bonds (distance) C4'-P energy: -61.374 bonds (distance) P-C4' energy: -62.897 flat angles C4'-P-C4' energy: -67.033 flat angles P-C4'-P energy: -33.722 tors. eta vs tors. theta energy: -96.562 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: 364 Temperature: 1.000000 Total energy: -1052.788065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.788065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.788065 (E_RNA) where: Base-Base interactions energy: -730.512 where: short stacking energy: -324.884 Base-Backbone interact. energy: -1.811 local terms energy: -320.465208 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -67.898 flat angles P-C4'-P energy: -47.625 tors. eta vs tors. theta energy: -83.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1003.568639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.568639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.568639 (E_RNA) where: Base-Base interactions energy: -698.268 where: short stacking energy: -308.305 Base-Backbone interact. energy: -0.055 local terms energy: -305.246475 where: bonds (distance) C4'-P energy: -48.956 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -71.970 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -90.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -989.190078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.190078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.190078 (E_RNA) where: Base-Base interactions energy: -684.615 where: short stacking energy: -291.373 Base-Backbone interact. energy: -2.230 local terms energy: -302.345077 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -44.021 tors. eta vs tors. theta energy: -77.356 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: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -923.971228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.971228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.971228 (E_RNA) where: Base-Base interactions energy: -632.718 where: short stacking energy: -284.720 Base-Backbone interact. energy: 1.835 local terms energy: -293.089012 where: bonds (distance) C4'-P energy: -58.031 bonds (distance) P-C4' energy: -45.151 flat angles C4'-P-C4' energy: -66.215 flat angles P-C4'-P energy: -53.502 tors. eta vs tors. theta energy: -70.190 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: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -862.084822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.084822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.084822 (E_RNA) where: Base-Base interactions energy: -597.605 where: short stacking energy: -259.218 Base-Backbone interact. energy: 1.905 local terms energy: -266.385720 where: bonds (distance) C4'-P energy: -45.689 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -56.118 flat angles P-C4'-P energy: -36.903 tors. eta vs tors. theta energy: -66.468 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: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -725.121754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.121754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.121754 (E_RNA) where: Base-Base interactions energy: -465.739 where: short stacking energy: -225.959 Base-Backbone interact. energy: -0.663 local terms energy: -258.719938 where: bonds (distance) C4'-P energy: -45.577 bonds (distance) P-C4' energy: -59.221 flat angles C4'-P-C4' energy: -60.680 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: -46.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -690.911836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.911836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.911836 (E_RNA) where: Base-Base interactions energy: -449.471 where: short stacking energy: -190.341 Base-Backbone interact. energy: -2.483 local terms energy: -238.957231 where: bonds (distance) C4'-P energy: -66.981 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -43.549 flat angles P-C4'-P energy: -31.424 tors. eta vs tors. theta energy: -40.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -539.688681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.688681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.688681 (E_RNA) where: Base-Base interactions energy: -324.651 where: short stacking energy: -142.376 Base-Backbone interact. energy: -0.639 local terms energy: -214.398622 where: bonds (distance) C4'-P energy: -52.984 bonds (distance) P-C4' energy: -62.288 flat angles C4'-P-C4' energy: -51.970 flat angles P-C4'-P energy: -35.193 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: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1145.130423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.130423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.130423 (E_RNA) where: Base-Base interactions energy: -804.582 where: short stacking energy: -350.142 Base-Backbone interact. energy: -1.388 local terms energy: -339.159657 where: bonds (distance) C4'-P energy: -67.024 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -72.387 flat angles P-C4'-P energy: -48.186 tors. eta vs tors. theta energy: -92.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1100.251708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.251708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.251708 (E_RNA) where: Base-Base interactions energy: -775.411 where: short stacking energy: -309.845 Base-Backbone interact. energy: -0.396 local terms energy: -324.444491 where: bonds (distance) C4'-P energy: -65.486 bonds (distance) P-C4' energy: -60.818 flat angles C4'-P-C4' energy: -72.416 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -82.842 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: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1068.747874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.747874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.747874 (E_RNA) where: Base-Base interactions energy: -736.619 where: short stacking energy: -334.765 Base-Backbone interact. energy: -0.720 local terms energy: -331.409402 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -66.799 flat angles P-C4'-P energy: -54.347 tors. eta vs tors. theta energy: -90.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1030.787239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.787239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.787239 (E_RNA) where: Base-Base interactions energy: -707.852 where: short stacking energy: -303.725 Base-Backbone interact. energy: -1.327 local terms energy: -321.607491 where: bonds (distance) C4'-P energy: -62.394 bonds (distance) P-C4' energy: -53.697 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -49.511 tors. eta vs tors. theta energy: -91.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -952.852679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.852679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.852679 (E_RNA) where: Base-Base interactions energy: -661.867 where: short stacking energy: -290.874 Base-Backbone interact. energy: 1.160 local terms energy: -292.145945 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -65.329 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -69.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -951.694240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.694240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.694240 (E_RNA) where: Base-Base interactions energy: -642.132 where: short stacking energy: -265.817 Base-Backbone interact. energy: -0.192 local terms energy: -309.369487 where: bonds (distance) C4'-P energy: -59.752 bonds (distance) P-C4' energy: -60.720 flat angles C4'-P-C4' energy: -61.123 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -76.953 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: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -903.009398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.009398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.009398 (E_RNA) where: Base-Base interactions energy: -616.889 where: short stacking energy: -280.882 Base-Backbone interact. energy: 1.426 local terms energy: -287.546746 where: bonds (distance) C4'-P energy: -55.820 bonds (distance) P-C4' energy: -50.158 flat angles C4'-P-C4' energy: -65.855 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -73.567 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: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -743.944775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.944775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.944775 (E_RNA) where: Base-Base interactions energy: -496.627 where: short stacking energy: -218.663 Base-Backbone interact. energy: 0.114 local terms energy: -247.432002 where: bonds (distance) C4'-P energy: -52.821 bonds (distance) P-C4' energy: -62.074 flat angles C4'-P-C4' energy: -50.861 flat angles P-C4'-P energy: -32.050 tors. eta vs tors. theta energy: -49.626 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: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -675.864524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.864524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.864524 (E_RNA) where: Base-Base interactions energy: -436.042 where: short stacking energy: -187.575 Base-Backbone interact. energy: -1.484 local terms energy: -238.338372 where: bonds (distance) C4'-P energy: -52.951 bonds (distance) P-C4' energy: -58.375 flat angles C4'-P-C4' energy: -48.682 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: -45.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -530.018171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.018171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.018171 (E_RNA) where: Base-Base interactions energy: -322.547 where: short stacking energy: -169.332 Base-Backbone interact. energy: 4.904 local terms energy: -212.374414 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -42.860 flat angles C4'-P-C4' energy: -46.967 flat angles P-C4'-P energy: -36.745 tors. eta vs tors. theta energy: -25.828 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: 366 Temperature: 0.900000 Total energy: -1147.725752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.725752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.725752 (E_RNA) where: Base-Base interactions energy: -811.383 where: short stacking energy: -339.148 Base-Backbone interact. energy: -1.244 local terms energy: -335.099027 where: bonds (distance) C4'-P energy: -54.234 bonds (distance) P-C4' energy: -71.474 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: -90.553 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: 366 Temperature: 0.950000 Total energy: -1144.885944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.885944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.885944 (E_RNA) where: Base-Base interactions energy: -792.544 where: short stacking energy: -354.750 Base-Backbone interact. energy: 0.607 local terms energy: -352.949521 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -62.849 flat angles C4'-P-C4' energy: -77.689 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -97.569 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: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1092.480560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.480560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.480560 (E_RNA) where: Base-Base interactions energy: -752.268 where: short stacking energy: -350.283 Base-Backbone interact. energy: 0.492 local terms energy: -340.704498 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -65.228 flat angles C4'-P-C4' energy: -73.243 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -98.636 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: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1019.842794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.842794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.842794 (E_RNA) where: Base-Base interactions energy: -685.370 where: short stacking energy: -299.350 Base-Backbone interact. energy: -0.249 local terms energy: -334.223716 where: bonds (distance) C4'-P energy: -67.618 bonds (distance) P-C4' energy: -61.603 flat angles C4'-P-C4' energy: -73.716 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -85.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -971.274763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.274763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.274763 (E_RNA) where: Base-Base interactions energy: -668.519 where: short stacking energy: -303.258 Base-Backbone interact. energy: -0.268 local terms energy: -302.488529 where: bonds (distance) C4'-P energy: -57.083 bonds (distance) P-C4' energy: -57.033 flat angles C4'-P-C4' energy: -64.108 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -77.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -953.998382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.998382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.998382 (E_RNA) where: Base-Base interactions energy: -653.973 where: short stacking energy: -288.634 Base-Backbone interact. energy: -0.797 local terms energy: -299.227881 where: bonds (distance) C4'-P energy: -54.245 bonds (distance) P-C4' energy: -59.964 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -81.546 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: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -914.859182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.859182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.859182 (E_RNA) where: Base-Base interactions energy: -623.839 where: short stacking energy: -268.233 Base-Backbone interact. energy: -0.888 local terms energy: -290.132096 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -57.105 flat angles C4'-P-C4' energy: -62.473 flat angles P-C4'-P energy: -38.174 tors. eta vs tors. theta energy: -68.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -750.866497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.866497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.866497 (E_RNA) where: Base-Base interactions energy: -517.270 where: short stacking energy: -226.251 Base-Backbone interact. energy: 0.325 local terms energy: -233.920733 where: bonds (distance) C4'-P energy: -47.668 bonds (distance) P-C4' energy: -39.405 flat angles C4'-P-C4' energy: -54.674 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -56.263 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: 366 Temperature: 1.300000 Total energy: -658.253497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.253497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.253497 (E_RNA) where: Base-Base interactions energy: -453.780 where: short stacking energy: -203.869 Base-Backbone interact. energy: 2.050 local terms energy: -206.523523 where: bonds (distance) C4'-P energy: -41.529 bonds (distance) P-C4' energy: -49.902 flat angles C4'-P-C4' energy: -46.762 flat angles P-C4'-P energy: -26.407 tors. eta vs tors. theta energy: -41.923 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: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -576.080673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.080673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.080673 (E_RNA) where: Base-Base interactions energy: -373.249 where: short stacking energy: -176.484 Base-Backbone interact. energy: 6.678 local terms energy: -209.509459 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -51.649 flat angles C4'-P-C4' energy: -56.745 flat angles P-C4'-P energy: -21.638 tors. eta vs tors. theta energy: -24.728 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: 367 Temperature: 0.900000 Total energy: -1145.169687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.169687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.169687 (E_RNA) where: Base-Base interactions energy: -803.264 where: short stacking energy: -344.808 Base-Backbone interact. energy: -2.893 local terms energy: -339.013529 where: bonds (distance) C4'-P energy: -61.581 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -67.445 flat angles P-C4'-P energy: -47.321 tors. eta vs tors. theta energy: -95.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1118.259243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.259243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.259243 (E_RNA) where: Base-Base interactions energy: -781.234 where: short stacking energy: -321.714 Base-Backbone interact. energy: -0.588 local terms energy: -336.436763 where: bonds (distance) C4'-P energy: -61.313 bonds (distance) P-C4' energy: -67.520 flat angles C4'-P-C4' energy: -68.337 flat angles P-C4'-P energy: -49.330 tors. eta vs tors. theta energy: -89.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1092.694927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.694927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.694927 (E_RNA) where: Base-Base interactions energy: -753.363 where: short stacking energy: -345.264 Base-Backbone interact. energy: -0.238 local terms energy: -339.094356 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -65.442 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -98.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1001.655925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.655925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.655925 (E_RNA) where: Base-Base interactions energy: -697.704 where: short stacking energy: -307.411 Base-Backbone interact. energy: 2.720 local terms energy: -306.671959 where: bonds (distance) C4'-P energy: -65.271 bonds (distance) P-C4' energy: -55.159 flat angles C4'-P-C4' energy: -60.735 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -88.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -936.851484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.851484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.851484 (E_RNA) where: Base-Base interactions energy: -630.454 where: short stacking energy: -294.084 Base-Backbone interact. energy: 1.319 local terms energy: -307.716312 where: bonds (distance) C4'-P energy: -48.440 bonds (distance) P-C4' energy: -48.531 flat angles C4'-P-C4' energy: -76.885 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -82.391 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: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -949.183816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.183816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.183816 (E_RNA) where: Base-Base interactions energy: -660.609 where: short stacking energy: -289.774 Base-Backbone interact. energy: -1.949 local terms energy: -286.626013 where: bonds (distance) C4'-P energy: -60.321 bonds (distance) P-C4' energy: -48.092 flat angles C4'-P-C4' energy: -66.238 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -73.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -889.330350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.330350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.330350 (E_RNA) where: Base-Base interactions energy: -608.510 where: short stacking energy: -272.653 Base-Backbone interact. energy: 1.340 local terms energy: -282.161100 where: bonds (distance) C4'-P energy: -59.240 bonds (distance) P-C4' energy: -53.202 flat angles C4'-P-C4' energy: -67.051 flat angles P-C4'-P energy: -33.134 tors. eta vs tors. theta energy: -69.535 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: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -735.298003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.298003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.298003 (E_RNA) where: Base-Base interactions energy: -486.726 where: short stacking energy: -220.857 Base-Backbone interact. energy: -0.793 local terms energy: -247.779358 where: bonds (distance) C4'-P energy: -44.914 bonds (distance) P-C4' energy: -47.610 flat angles C4'-P-C4' energy: -69.543 flat angles P-C4'-P energy: -37.903 tors. eta vs tors. theta energy: -47.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -696.472458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.472458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.472458 (E_RNA) where: Base-Base interactions energy: -456.901 where: short stacking energy: -225.971 Base-Backbone interact. energy: -1.244 local terms energy: -238.327443 where: bonds (distance) C4'-P energy: -52.595 bonds (distance) P-C4' energy: -54.285 flat angles C4'-P-C4' energy: -48.045 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -42.733 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: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -571.847789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.847789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.847789 (E_RNA) where: Base-Base interactions energy: -363.937 where: short stacking energy: -167.417 Base-Backbone interact. energy: 1.446 local terms energy: -209.355989 where: bonds (distance) C4'-P energy: -44.727 bonds (distance) P-C4' energy: -58.232 flat angles C4'-P-C4' energy: -42.052 flat angles P-C4'-P energy: -34.654 tors. eta vs tors. theta energy: -29.691 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: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1144.572808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.572808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.572808 (E_RNA) where: Base-Base interactions energy: -795.918 where: short stacking energy: -343.710 Base-Backbone interact. energy: -1.781 local terms energy: -346.873805 where: bonds (distance) C4'-P energy: -63.952 bonds (distance) P-C4' energy: -64.920 flat angles C4'-P-C4' energy: -74.644 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1120.654974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.654974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.654974 (E_RNA) where: Base-Base interactions energy: -771.813 where: short stacking energy: -341.736 Base-Backbone interact. energy: -2.098 local terms energy: -346.743259 where: bonds (distance) C4'-P energy: -68.903 bonds (distance) P-C4' energy: -61.969 flat angles C4'-P-C4' energy: -72.268 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -98.007 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: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1073.052113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.052113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.052113 (E_RNA) where: Base-Base interactions energy: -742.640 where: short stacking energy: -336.512 Base-Backbone interact. energy: -1.092 local terms energy: -329.320270 where: bonds (distance) C4'-P energy: -62.172 bonds (distance) P-C4' energy: -60.023 flat angles C4'-P-C4' energy: -75.935 flat angles P-C4'-P energy: -38.916 tors. eta vs tors. theta energy: -92.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1003.708337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.708337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.708337 (E_RNA) where: Base-Base interactions energy: -690.234 where: short stacking energy: -304.764 Base-Backbone interact. energy: -1.607 local terms energy: -311.867670 where: bonds (distance) C4'-P energy: -57.844 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -38.369 tors. eta vs tors. theta energy: -90.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -941.482759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.482759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.482759 (E_RNA) where: Base-Base interactions energy: -659.615 where: short stacking energy: -282.279 Base-Backbone interact. energy: -0.284 local terms energy: -281.583965 where: bonds (distance) C4'-P energy: -63.520 bonds (distance) P-C4' energy: -45.047 flat angles C4'-P-C4' energy: -62.421 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -65.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -960.460649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.460649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.460649 (E_RNA) where: Base-Base interactions energy: -660.880 where: short stacking energy: -288.834 Base-Backbone interact. energy: 3.047 local terms energy: -302.626742 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -70.404 flat angles C4'-P-C4' energy: -61.196 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: -73.640 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: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -903.326788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.326788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.326788 (E_RNA) where: Base-Base interactions energy: -621.754 where: short stacking energy: -266.401 Base-Backbone interact. energy: -1.443 local terms energy: -280.129858 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -67.211 flat angles C4'-P-C4' energy: -54.831 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -63.958 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: 368 Temperature: 1.250000 Total energy: -715.287161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.287161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.287161 (E_RNA) where: Base-Base interactions energy: -462.278 where: short stacking energy: -205.134 Base-Backbone interact. energy: -1.474 local terms energy: -251.534972 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -52.251 flat angles P-C4'-P energy: -51.874 tors. eta vs tors. theta energy: -34.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -748.108977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.108977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.108977 (E_RNA) where: Base-Base interactions energy: -479.518 where: short stacking energy: -222.703 Base-Backbone interact. energy: -0.910 local terms energy: -267.681355 where: bonds (distance) C4'-P energy: -54.150 bonds (distance) P-C4' energy: -62.187 flat angles C4'-P-C4' energy: -53.136 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -54.724 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: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -579.185979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.185979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.185979 (E_RNA) where: Base-Base interactions energy: -381.808 where: short stacking energy: -166.226 Base-Backbone interact. energy: -0.447 local terms energy: -196.931615 where: bonds (distance) C4'-P energy: -47.876 bonds (distance) P-C4' energy: -49.366 flat angles C4'-P-C4' energy: -32.904 flat angles P-C4'-P energy: -38.547 tors. eta vs tors. theta energy: -28.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1148.624066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.624066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.624066 (E_RNA) where: Base-Base interactions energy: -809.005 where: short stacking energy: -345.242 Base-Backbone interact. energy: -0.919 local terms energy: -338.700273 where: bonds (distance) C4'-P energy: -66.504 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -70.423 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -90.073 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: 369 Temperature: 0.950000 Total energy: -1115.648106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.648106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.648106 (E_RNA) where: Base-Base interactions energy: -778.102 where: short stacking energy: -340.206 Base-Backbone interact. energy: -0.349 local terms energy: -337.197103 where: bonds (distance) C4'-P energy: -57.802 bonds (distance) P-C4' energy: -66.304 flat angles C4'-P-C4' energy: -67.726 flat angles P-C4'-P energy: -49.403 tors. eta vs tors. theta energy: -95.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1058.129633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.129633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.129633 (E_RNA) where: Base-Base interactions energy: -727.033 where: short stacking energy: -346.127 Base-Backbone interact. energy: -0.840 local terms energy: -330.255935 where: bonds (distance) C4'-P energy: -61.513 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -38.952 tors. eta vs tors. theta energy: -97.951 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: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -985.788339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.788339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.788339 (E_RNA) where: Base-Base interactions energy: -666.735 where: short stacking energy: -318.451 Base-Backbone interact. energy: -0.220 local terms energy: -318.833563 where: bonds (distance) C4'-P energy: -65.618 bonds (distance) P-C4' energy: -47.542 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -43.623 tors. eta vs tors. theta energy: -91.452 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: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -927.077638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.077638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.077638 (E_RNA) where: Base-Base interactions energy: -638.982 where: short stacking energy: -260.744 Base-Backbone interact. energy: 1.208 local terms energy: -289.303293 where: bonds (distance) C4'-P energy: -55.746 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -68.334 flat angles P-C4'-P energy: -32.981 tors. eta vs tors. theta energy: -70.784 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: 369 Temperature: 1.150000 Total energy: -929.998041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.998041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.998041 (E_RNA) where: Base-Base interactions energy: -645.135 where: short stacking energy: -276.155 Base-Backbone interact. energy: 1.001 local terms energy: -285.864804 where: bonds (distance) C4'-P energy: -57.348 bonds (distance) P-C4' energy: -40.242 flat angles C4'-P-C4' energy: -71.468 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -75.494 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: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -911.290584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.290584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.290584 (E_RNA) where: Base-Base interactions energy: -634.155 where: short stacking energy: -266.622 Base-Backbone interact. energy: -1.152 local terms energy: -275.983853 where: bonds (distance) C4'-P energy: -58.230 bonds (distance) P-C4' energy: -41.153 flat angles C4'-P-C4' energy: -57.060 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -76.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -740.401817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.401817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.401817 (E_RNA) where: Base-Base interactions energy: -480.655 where: short stacking energy: -215.532 Base-Backbone interact. energy: 0.321 local terms energy: -260.067278 where: bonds (distance) C4'-P energy: -54.114 bonds (distance) P-C4' energy: -55.050 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -39.626 tors. eta vs tors. theta energy: -45.298 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: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -709.766616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.766616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.766616 (E_RNA) where: Base-Base interactions energy: -461.903 where: short stacking energy: -205.645 Base-Backbone interact. energy: -2.039 local terms energy: -245.824747 where: bonds (distance) C4'-P energy: -46.943 bonds (distance) P-C4' energy: -59.188 flat angles C4'-P-C4' energy: -50.319 flat angles P-C4'-P energy: -35.452 tors. eta vs tors. theta energy: -53.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -576.995467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.995467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.995467 (E_RNA) where: Base-Base interactions energy: -347.313 where: short stacking energy: -164.364 Base-Backbone interact. energy: 0.684 local terms energy: -230.366357 where: bonds (distance) C4'-P energy: -44.240 bonds (distance) P-C4' energy: -63.710 flat angles C4'-P-C4' energy: -48.609 flat angles P-C4'-P energy: -29.735 tors. eta vs tors. theta energy: -44.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1143.533494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.533494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.533494 (E_RNA) where: Base-Base interactions energy: -790.922 where: short stacking energy: -341.194 Base-Backbone interact. energy: -2.136 local terms energy: -350.475243 where: bonds (distance) C4'-P energy: -61.449 bonds (distance) P-C4' energy: -62.536 flat angles C4'-P-C4' energy: -75.016 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -99.076 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: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1082.137741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.137741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.137741 (E_RNA) where: Base-Base interactions energy: -742.008 where: short stacking energy: -334.435 Base-Backbone interact. energy: -2.709 local terms energy: -337.420188 where: bonds (distance) C4'-P energy: -64.033 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -72.466 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -86.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1079.583881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.583881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.583881 (E_RNA) where: Base-Base interactions energy: -729.321 where: short stacking energy: -353.315 Base-Backbone interact. energy: -0.323 local terms energy: -349.939337 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -61.786 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: -108.168 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -997.837128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.837128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.837128 (E_RNA) where: Base-Base interactions energy: -682.851 where: short stacking energy: -297.015 Base-Backbone interact. energy: -0.436 local terms energy: -314.549881 where: bonds (distance) C4'-P energy: -59.145 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -64.096 flat angles P-C4'-P energy: -50.154 tors. eta vs tors. theta energy: -79.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -946.765017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.765017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.765017 (E_RNA) where: Base-Base interactions energy: -655.399 where: short stacking energy: -274.991 Base-Backbone interact. energy: -0.727 local terms energy: -290.638480 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -53.345 flat angles C4'-P-C4' energy: -68.534 flat angles P-C4'-P energy: -43.244 tors. eta vs tors. theta energy: -72.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -919.883450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.883450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.883450 (E_RNA) where: Base-Base interactions energy: -645.365 where: short stacking energy: -265.135 Base-Backbone interact. energy: 0.689 local terms energy: -275.207897 where: bonds (distance) C4'-P energy: -55.885 bonds (distance) P-C4' energy: -56.748 flat angles C4'-P-C4' energy: -55.388 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -69.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -907.865301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.865301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.865301 (E_RNA) where: Base-Base interactions energy: -642.957 where: short stacking energy: -270.852 Base-Backbone interact. energy: -2.241 local terms energy: -262.667257 where: bonds (distance) C4'-P energy: -45.186 bonds (distance) P-C4' energy: -47.917 flat angles C4'-P-C4' energy: -58.460 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -71.634 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: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -751.681750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.681750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.681750 (E_RNA) where: Base-Base interactions energy: -502.605 where: short stacking energy: -218.983 Base-Backbone interact. energy: 2.742 local terms energy: -251.819318 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -51.611 flat angles C4'-P-C4' energy: -49.209 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: -43.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -712.660735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.660735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.660735 (E_RNA) where: Base-Base interactions energy: -469.379 where: short stacking energy: -227.374 Base-Backbone interact. energy: 0.491 local terms energy: -243.772678 where: bonds (distance) C4'-P energy: -44.689 bonds (distance) P-C4' energy: -44.935 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -45.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -573.618744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.618744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.618744 (E_RNA) where: Base-Base interactions energy: -362.353 where: short stacking energy: -175.011 Base-Backbone interact. energy: -1.337 local terms energy: -209.928686 where: bonds (distance) C4'-P energy: -49.103 bonds (distance) P-C4' energy: -64.583 flat angles C4'-P-C4' energy: -43.655 flat angles P-C4'-P energy: -22.427 tors. eta vs tors. theta energy: -30.160 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: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1135.668088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.668088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.668088 (E_RNA) where: Base-Base interactions energy: -781.761 where: short stacking energy: -344.673 Base-Backbone interact. energy: -1.256 local terms energy: -352.650428 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -56.787 flat angles C4'-P-C4' energy: -78.494 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -101.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1086.141304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.141304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.141304 (E_RNA) where: Base-Base interactions energy: -749.313 where: short stacking energy: -340.597 Base-Backbone interact. energy: -0.622 local terms energy: -336.206129 where: bonds (distance) C4'-P energy: -58.823 bonds (distance) P-C4' energy: -61.492 flat angles C4'-P-C4' energy: -73.792 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -94.389 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: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1064.771044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.771044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.771044 (E_RNA) where: Base-Base interactions energy: -732.312 where: short stacking energy: -314.390 Base-Backbone interact. energy: -0.197 local terms energy: -332.262060 where: bonds (distance) C4'-P energy: -60.365 bonds (distance) P-C4' energy: -56.814 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: -96.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -994.790029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.790029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.790029 (E_RNA) where: Base-Base interactions energy: -677.813 where: short stacking energy: -316.641 Base-Backbone interact. energy: -0.441 local terms energy: -316.536001 where: bonds (distance) C4'-P energy: -68.024 bonds (distance) P-C4' energy: -59.321 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -35.454 tors. eta vs tors. theta energy: -86.693 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: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -984.059111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.059111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.059111 (E_RNA) where: Base-Base interactions energy: -692.846 where: short stacking energy: -315.920 Base-Backbone interact. energy: -0.426 local terms energy: -290.787310 where: bonds (distance) C4'-P energy: -42.781 bonds (distance) P-C4' energy: -53.489 flat angles C4'-P-C4' energy: -65.407 flat angles P-C4'-P energy: -38.581 tors. eta vs tors. theta energy: -90.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -934.956327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.956327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.956327 (E_RNA) where: Base-Base interactions energy: -646.499 where: short stacking energy: -280.848 Base-Backbone interact. energy: -0.985 local terms energy: -287.472858 where: bonds (distance) C4'-P energy: -48.112 bonds (distance) P-C4' energy: -51.521 flat angles C4'-P-C4' energy: -61.341 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -77.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -882.918591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.918591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.918591 (E_RNA) where: Base-Base interactions energy: -598.955 where: short stacking energy: -274.457 Base-Backbone interact. energy: -2.204 local terms energy: -281.759070 where: bonds (distance) C4'-P energy: -47.378 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -60.481 flat angles P-C4'-P energy: -42.912 tors. eta vs tors. theta energy: -71.022 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: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -742.322449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.322449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.322449 (E_RNA) where: Base-Base interactions energy: -488.764 where: short stacking energy: -219.501 Base-Backbone interact. energy: -1.062 local terms energy: -252.496413 where: bonds (distance) C4'-P energy: -56.716 bonds (distance) P-C4' energy: -58.189 flat angles C4'-P-C4' energy: -55.884 flat angles P-C4'-P energy: -35.143 tors. eta vs tors. theta energy: -46.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -709.560122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.560122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.560122 (E_RNA) where: Base-Base interactions energy: -447.202 where: short stacking energy: -211.935 Base-Backbone interact. energy: 0.130 local terms energy: -262.487845 where: bonds (distance) C4'-P energy: -53.149 bonds (distance) P-C4' energy: -56.880 flat angles C4'-P-C4' energy: -65.229 flat angles P-C4'-P energy: -38.809 tors. eta vs tors. theta energy: -48.420 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: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -557.850532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.850532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.850532 (E_RNA) where: Base-Base interactions energy: -361.731 where: short stacking energy: -169.433 Base-Backbone interact. energy: 1.110 local terms energy: -197.229658 where: bonds (distance) C4'-P energy: -29.815 bonds (distance) P-C4' energy: -48.940 flat angles C4'-P-C4' energy: -66.064 flat angles P-C4'-P energy: -31.391 tors. eta vs tors. theta energy: -21.019 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: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1146.648216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.648216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.648216 (E_RNA) where: Base-Base interactions energy: -794.614 where: short stacking energy: -344.787 Base-Backbone interact. energy: -3.122 local terms energy: -348.912272 where: bonds (distance) C4'-P energy: -68.657 bonds (distance) P-C4' energy: -67.023 flat angles C4'-P-C4' energy: -74.232 flat angles P-C4'-P energy: -45.900 tors. eta vs tors. theta energy: -93.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1098.049914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.049914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.049914 (E_RNA) where: Base-Base interactions energy: -753.495 where: short stacking energy: -359.108 Base-Backbone interact. energy: -0.672 local terms energy: -343.882584 where: bonds (distance) C4'-P energy: -57.239 bonds (distance) P-C4' energy: -58.550 flat angles C4'-P-C4' energy: -73.128 flat angles P-C4'-P energy: -50.274 tors. eta vs tors. theta energy: -104.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1055.991208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.991208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.991208 (E_RNA) where: Base-Base interactions energy: -736.571 where: short stacking energy: -334.870 Base-Backbone interact. energy: -0.691 local terms energy: -318.729842 where: bonds (distance) C4'-P energy: -58.750 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -61.654 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -91.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1005.448024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.448024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.448024 (E_RNA) where: Base-Base interactions energy: -692.638 where: short stacking energy: -320.568 Base-Backbone interact. energy: -1.171 local terms energy: -311.639186 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -59.614 flat angles P-C4'-P energy: -41.127 tors. eta vs tors. theta energy: -92.935 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: 372 Temperature: 1.100000 Total energy: -959.096684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.096684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.096684 (E_RNA) where: Base-Base interactions energy: -668.140 where: short stacking energy: -300.373 Base-Backbone interact. energy: -0.946 local terms energy: -290.010190 where: bonds (distance) C4'-P energy: -53.798 bonds (distance) P-C4' energy: -60.599 flat angles C4'-P-C4' energy: -62.637 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -76.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -936.140681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.140681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.140681 (E_RNA) where: Base-Base interactions energy: -649.713 where: short stacking energy: -277.734 Base-Backbone interact. energy: -0.234 local terms energy: -286.194054 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -55.666 flat angles C4'-P-C4' energy: -61.811 flat angles P-C4'-P energy: -41.321 tors. eta vs tors. theta energy: -66.307 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: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -906.830907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.830907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.830907 (E_RNA) where: Base-Base interactions energy: -629.720 where: short stacking energy: -274.688 Base-Backbone interact. energy: -0.530 local terms energy: -276.581512 where: bonds (distance) C4'-P energy: -38.644 bonds (distance) P-C4' energy: -60.186 flat angles C4'-P-C4' energy: -65.565 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -69.624 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: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -741.499097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.499097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.499097 (E_RNA) where: Base-Base interactions energy: -493.638 where: short stacking energy: -215.104 Base-Backbone interact. energy: -0.193 local terms energy: -247.668034 where: bonds (distance) C4'-P energy: -52.759 bonds (distance) P-C4' energy: -50.022 flat angles C4'-P-C4' energy: -54.747 flat angles P-C4'-P energy: -33.339 tors. eta vs tors. theta energy: -56.802 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: 372 Temperature: 1.300000 Total energy: -742.730804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.730804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.730804 (E_RNA) where: Base-Base interactions energy: -492.048 where: short stacking energy: -224.372 Base-Backbone interact. energy: -1.337 local terms energy: -249.345943 where: bonds (distance) C4'-P energy: -55.259 bonds (distance) P-C4' energy: -63.328 flat angles C4'-P-C4' energy: -48.012 flat angles P-C4'-P energy: -38.269 tors. eta vs tors. theta energy: -44.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -551.692163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.692163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.692163 (E_RNA) where: Base-Base interactions energy: -334.248 where: short stacking energy: -153.207 Base-Backbone interact. energy: 3.035 local terms energy: -220.479372 where: bonds (distance) C4'-P energy: -44.945 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -57.410 flat angles P-C4'-P energy: -30.190 tors. eta vs tors. theta energy: -26.536 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: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1136.798119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.798119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.798119 (E_RNA) where: Base-Base interactions energy: -790.468 where: short stacking energy: -350.507 Base-Backbone interact. energy: -2.063 local terms energy: -344.267684 where: bonds (distance) C4'-P energy: -64.077 bonds (distance) P-C4' energy: -70.534 flat angles C4'-P-C4' energy: -68.607 flat angles P-C4'-P energy: -47.430 tors. eta vs tors. theta energy: -93.619 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: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1082.074606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.074606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.074606 (E_RNA) where: Base-Base interactions energy: -735.412 where: short stacking energy: -332.881 Base-Backbone interact. energy: -0.793 local terms energy: -345.870032 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -68.920 flat angles C4'-P-C4' energy: -71.238 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -91.240 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: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1059.426232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.426232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.426232 (E_RNA) where: Base-Base interactions energy: -726.040 where: short stacking energy: -344.762 Base-Backbone interact. energy: -0.190 local terms energy: -333.195460 where: bonds (distance) C4'-P energy: -60.672 bonds (distance) P-C4' energy: -57.171 flat angles C4'-P-C4' energy: -70.324 flat angles P-C4'-P energy: -47.207 tors. eta vs tors. theta energy: -97.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1002.271623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.271623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.271623 (E_RNA) where: Base-Base interactions energy: -667.472 where: short stacking energy: -291.046 Base-Backbone interact. energy: 0.684 local terms energy: -335.483530 where: bonds (distance) C4'-P energy: -63.358 bonds (distance) P-C4' energy: -67.854 flat angles C4'-P-C4' energy: -64.788 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -86.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -949.984142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.984142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.984142 (E_RNA) where: Base-Base interactions energy: -679.973 where: short stacking energy: -304.619 Base-Backbone interact. energy: -0.386 local terms energy: -269.625190 where: bonds (distance) C4'-P energy: -57.554 bonds (distance) P-C4' energy: -45.599 flat angles C4'-P-C4' energy: -59.873 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -68.528 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: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -919.493162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.493162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.493162 (E_RNA) where: Base-Base interactions energy: -645.949 where: short stacking energy: -276.683 Base-Backbone interact. energy: -0.910 local terms energy: -272.634041 where: bonds (distance) C4'-P energy: -53.284 bonds (distance) P-C4' energy: -54.591 flat angles C4'-P-C4' energy: -57.295 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: -75.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -899.534385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.534385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.534385 (E_RNA) where: Base-Base interactions energy: -632.897 where: short stacking energy: -262.383 Base-Backbone interact. energy: -1.251 local terms energy: -265.386345 where: bonds (distance) C4'-P energy: -37.492 bonds (distance) P-C4' energy: -62.153 flat angles C4'-P-C4' energy: -50.274 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -72.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -728.624374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.624374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.624374 (E_RNA) where: Base-Base interactions energy: -461.030 where: short stacking energy: -225.522 Base-Backbone interact. energy: -1.156 local terms energy: -266.438360 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -62.169 flat angles C4'-P-C4' energy: -56.498 flat angles P-C4'-P energy: -39.005 tors. eta vs tors. theta energy: -49.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -670.779648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.779648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.779648 (E_RNA) where: Base-Base interactions energy: -453.710 where: short stacking energy: -208.138 Base-Backbone interact. energy: 0.746 local terms energy: -217.815377 where: bonds (distance) C4'-P energy: -53.430 bonds (distance) P-C4' energy: -48.582 flat angles C4'-P-C4' energy: -43.181 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -31.822 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: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -585.394994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.394994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.394994 (E_RNA) where: Base-Base interactions energy: -381.364 where: short stacking energy: -169.914 Base-Backbone interact. energy: -1.066 local terms energy: -202.964170 where: bonds (distance) C4'-P energy: -51.918 bonds (distance) P-C4' energy: -50.390 flat angles C4'-P-C4' energy: -49.001 flat angles P-C4'-P energy: -28.922 tors. eta vs tors. theta energy: -22.732 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: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1139.970643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.970643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.970643 (E_RNA) where: Base-Base interactions energy: -798.680 where: short stacking energy: -349.609 Base-Backbone interact. energy: -2.089 local terms energy: -339.201623 where: bonds (distance) C4'-P energy: -64.850 bonds (distance) P-C4' energy: -58.450 flat angles C4'-P-C4' energy: -72.606 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -91.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1095.760883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.760883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.760883 (E_RNA) where: Base-Base interactions energy: -749.561 where: short stacking energy: -328.841 Base-Backbone interact. energy: 0.613 local terms energy: -346.813060 where: bonds (distance) C4'-P energy: -61.495 bonds (distance) P-C4' energy: -60.467 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -101.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1066.955990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.955990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.955990 (E_RNA) where: Base-Base interactions energy: -713.071 where: short stacking energy: -348.693 Base-Backbone interact. energy: -0.926 local terms energy: -352.958254 where: bonds (distance) C4'-P energy: -60.419 bonds (distance) P-C4' energy: -68.100 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -103.450 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: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1011.341938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.341938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.341938 (E_RNA) where: Base-Base interactions energy: -689.398 where: short stacking energy: -310.571 Base-Backbone interact. energy: -0.625 local terms energy: -321.318891 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -63.957 flat angles C4'-P-C4' energy: -72.671 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: -87.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -946.638148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.638148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.638148 (E_RNA) where: Base-Base interactions energy: -663.267 where: short stacking energy: -294.902 Base-Backbone interact. energy: -0.832 local terms energy: -282.539994 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -56.495 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -71.243 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: 374 Temperature: 1.150000 Total energy: -930.943711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.943711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.943711 (E_RNA) where: Base-Base interactions energy: -636.951 where: short stacking energy: -278.252 Base-Backbone interact. energy: -0.492 local terms energy: -293.500854 where: bonds (distance) C4'-P energy: -49.550 bonds (distance) P-C4' energy: -56.577 flat angles C4'-P-C4' energy: -64.044 flat angles P-C4'-P energy: -46.401 tors. eta vs tors. theta energy: -76.928 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: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -875.488862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.488862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.488862 (E_RNA) where: Base-Base interactions energy: -603.303 where: short stacking energy: -252.295 Base-Backbone interact. energy: -1.591 local terms energy: -270.594971 where: bonds (distance) C4'-P energy: -45.142 bonds (distance) P-C4' energy: -56.437 flat angles C4'-P-C4' energy: -59.944 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -64.661 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: 374 Temperature: 1.250000 Total energy: -678.050123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.050123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.050123 (E_RNA) where: Base-Base interactions energy: -449.926 where: short stacking energy: -194.571 Base-Backbone interact. energy: -1.685 local terms energy: -226.439226 where: bonds (distance) C4'-P energy: -50.194 bonds (distance) P-C4' energy: -56.142 flat angles C4'-P-C4' energy: -45.213 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -35.771 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: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -687.405257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.405257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.405257 (E_RNA) where: Base-Base interactions energy: -463.047 where: short stacking energy: -199.609 Base-Backbone interact. energy: 0.134 local terms energy: -224.492075 where: bonds (distance) C4'-P energy: -49.870 bonds (distance) P-C4' energy: -53.963 flat angles C4'-P-C4' energy: -48.144 flat angles P-C4'-P energy: -30.336 tors. eta vs tors. theta energy: -42.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -579.771785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.771785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.771785 (E_RNA) where: Base-Base interactions energy: -340.129 where: short stacking energy: -157.783 Base-Backbone interact. energy: -1.286 local terms energy: -238.356957 where: bonds (distance) C4'-P energy: -57.922 bonds (distance) P-C4' energy: -61.591 flat angles C4'-P-C4' energy: -44.950 flat angles P-C4'-P energy: -39.882 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: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1137.687008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.687008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.687008 (E_RNA) where: Base-Base interactions energy: -793.194 where: short stacking energy: -340.697 Base-Backbone interact. energy: -3.379 local terms energy: -341.113816 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -97.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1113.148123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.148123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.148123 (E_RNA) where: Base-Base interactions energy: -767.543 where: short stacking energy: -330.063 Base-Backbone interact. energy: -0.709 local terms energy: -344.895799 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -65.556 flat angles C4'-P-C4' energy: -70.366 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -96.244 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: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1079.357298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.357298 (E_RNA) where: Base-Base interactions energy: -743.369 where: short stacking energy: -344.374 Base-Backbone interact. energy: -0.622 local terms energy: -335.366624 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -65.524 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -102.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -971.782144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.782144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.782144 (E_RNA) where: Base-Base interactions energy: -676.833 where: short stacking energy: -301.352 Base-Backbone interact. energy: -0.438 local terms energy: -294.510801 where: bonds (distance) C4'-P energy: -55.738 bonds (distance) P-C4' energy: -67.630 flat angles C4'-P-C4' energy: -58.978 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -70.818 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: 375 Temperature: 1.100000 Total energy: -960.529267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.529267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.529267 (E_RNA) where: Base-Base interactions energy: -651.468 where: short stacking energy: -301.818 Base-Backbone interact. energy: -0.521 local terms energy: -308.540612 where: bonds (distance) C4'-P energy: -57.653 bonds (distance) P-C4' energy: -60.108 flat angles C4'-P-C4' energy: -66.718 flat angles P-C4'-P energy: -39.299 tors. eta vs tors. theta energy: -84.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -944.167242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.167242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.167242 (E_RNA) where: Base-Base interactions energy: -648.066 where: short stacking energy: -288.561 Base-Backbone interact. energy: -0.004 local terms energy: -296.096998 where: bonds (distance) C4'-P energy: -50.360 bonds (distance) P-C4' energy: -61.293 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -40.934 tors. eta vs tors. theta energy: -77.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -878.210282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.210282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.210282 (E_RNA) where: Base-Base interactions energy: -595.062 where: short stacking energy: -270.419 Base-Backbone interact. energy: -2.733 local terms energy: -280.415872 where: bonds (distance) C4'-P energy: -60.829 bonds (distance) P-C4' energy: -60.647 flat angles C4'-P-C4' energy: -57.985 flat angles P-C4'-P energy: -34.251 tors. eta vs tors. theta energy: -66.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -728.184556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.184556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.184556 (E_RNA) where: Base-Base interactions energy: -477.549 where: short stacking energy: -225.940 Base-Backbone interact. energy: -0.284 local terms energy: -250.351361 where: bonds (distance) C4'-P energy: -53.364 bonds (distance) P-C4' energy: -47.969 flat angles C4'-P-C4' energy: -61.890 flat angles P-C4'-P energy: -32.392 tors. eta vs tors. theta energy: -54.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -657.851663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.851663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.851663 (E_RNA) where: Base-Base interactions energy: -430.582 where: short stacking energy: -186.826 Base-Backbone interact. energy: -0.967 local terms energy: -226.302792 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -50.960 flat angles C4'-P-C4' energy: -44.911 flat angles P-C4'-P energy: -31.088 tors. eta vs tors. theta energy: -44.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -600.175463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.175463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.175463 (E_RNA) where: Base-Base interactions energy: -386.101 where: short stacking energy: -166.982 Base-Backbone interact. energy: 4.693 local terms energy: -218.767673 where: bonds (distance) C4'-P energy: -54.980 bonds (distance) P-C4' energy: -67.953 flat angles C4'-P-C4' energy: -45.836 flat angles P-C4'-P energy: -19.679 tors. eta vs tors. theta energy: -30.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1166.668895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.668895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.668895 (E_RNA) where: Base-Base interactions energy: -813.190 where: short stacking energy: -362.786 Base-Backbone interact. energy: -1.790 local terms energy: -351.689630 where: bonds (distance) C4'-P energy: -64.060 bonds (distance) P-C4' energy: -66.805 flat angles C4'-P-C4' energy: -73.687 flat angles P-C4'-P energy: -49.641 tors. eta vs tors. theta energy: -97.497 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: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1098.658972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.658972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.658972 (E_RNA) where: Base-Base interactions energy: -778.883 where: short stacking energy: -336.613 Base-Backbone interact. energy: -2.194 local terms energy: -317.582020 where: bonds (distance) C4'-P energy: -63.712 bonds (distance) P-C4' energy: -54.397 flat angles C4'-P-C4' energy: -68.024 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: -87.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1066.630248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.630248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.630248 (E_RNA) where: Base-Base interactions energy: -738.351 where: short stacking energy: -353.340 Base-Backbone interact. energy: -0.837 local terms energy: -327.441512 where: bonds (distance) C4'-P energy: -53.722 bonds (distance) P-C4' energy: -71.500 flat angles C4'-P-C4' energy: -65.923 flat angles P-C4'-P energy: -41.541 tors. eta vs tors. theta energy: -94.756 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: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1001.760195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.760195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.760195 (E_RNA) where: Base-Base interactions energy: -676.113 where: short stacking energy: -286.754 Base-Backbone interact. energy: 0.366 local terms energy: -326.013101 where: bonds (distance) C4'-P energy: -62.459 bonds (distance) P-C4' energy: -71.681 flat angles C4'-P-C4' energy: -74.026 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -76.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -973.159859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.159859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.159859 (E_RNA) where: Base-Base interactions energy: -657.514 where: short stacking energy: -275.177 Base-Backbone interact. energy: 0.793 local terms energy: -316.439261 where: bonds (distance) C4'-P energy: -59.098 bonds (distance) P-C4' energy: -65.948 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -39.585 tors. eta vs tors. theta energy: -79.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -956.051344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.051344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.051344 (E_RNA) where: Base-Base interactions energy: -667.382 where: short stacking energy: -289.786 Base-Backbone interact. energy: -0.042 local terms energy: -288.627143 where: bonds (distance) C4'-P energy: -47.071 bonds (distance) P-C4' energy: -54.937 flat angles C4'-P-C4' energy: -62.750 flat angles P-C4'-P energy: -52.084 tors. eta vs tors. theta energy: -71.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -910.294331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.294331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.294331 (E_RNA) where: Base-Base interactions energy: -626.575 where: short stacking energy: -279.436 Base-Backbone interact. energy: -0.781 local terms energy: -282.938220 where: bonds (distance) C4'-P energy: -50.356 bonds (distance) P-C4' energy: -65.549 flat angles C4'-P-C4' energy: -54.918 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -71.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -718.491853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.491853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.491853 (E_RNA) where: Base-Base interactions energy: -452.519 where: short stacking energy: -211.357 Base-Backbone interact. energy: 0.611 local terms energy: -266.584407 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -62.265 flat angles C4'-P-C4' energy: -65.363 flat angles P-C4'-P energy: -37.125 tors. eta vs tors. theta energy: -44.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -707.177535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.177535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.177535 (E_RNA) where: Base-Base interactions energy: -451.189 where: short stacking energy: -211.513 Base-Backbone interact. energy: -0.871 local terms energy: -255.117552 where: bonds (distance) C4'-P energy: -56.962 bonds (distance) P-C4' energy: -55.676 flat angles C4'-P-C4' energy: -52.435 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -50.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -534.857501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.857501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.857501 (E_RNA) where: Base-Base interactions energy: -324.439 where: short stacking energy: -139.278 Base-Backbone interact. energy: -0.320 local terms energy: -210.098639 where: bonds (distance) C4'-P energy: -52.634 bonds (distance) P-C4' energy: -53.687 flat angles C4'-P-C4' energy: -56.035 flat angles P-C4'-P energy: -24.798 tors. eta vs tors. theta energy: -22.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1143.570337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.570337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.570337 (E_RNA) where: Base-Base interactions energy: -801.286 where: short stacking energy: -358.237 Base-Backbone interact. energy: -1.691 local terms energy: -340.592790 where: bonds (distance) C4'-P energy: -63.458 bonds (distance) P-C4' energy: -66.409 flat angles C4'-P-C4' energy: -66.489 flat angles P-C4'-P energy: -47.299 tors. eta vs tors. theta energy: -96.939 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: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1113.727922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.727922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.727922 (E_RNA) where: Base-Base interactions energy: -776.046 where: short stacking energy: -330.713 Base-Backbone interact. energy: -2.411 local terms energy: -335.270999 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -60.469 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -42.199 tors. eta vs tors. theta energy: -96.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1064.923020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.923020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.923020 (E_RNA) where: Base-Base interactions energy: -745.544 where: short stacking energy: -343.725 Base-Backbone interact. energy: -0.949 local terms energy: -318.430045 where: bonds (distance) C4'-P energy: -54.366 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: -91.447 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: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -992.252370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.252370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.252370 (E_RNA) where: Base-Base interactions energy: -669.086 where: short stacking energy: -287.290 Base-Backbone interact. energy: -0.802 local terms energy: -322.364026 where: bonds (distance) C4'-P energy: -66.949 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -66.224 flat angles P-C4'-P energy: -50.947 tors. eta vs tors. theta energy: -78.204 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: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -965.363167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.363167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.363167 (E_RNA) where: Base-Base interactions energy: -673.752 where: short stacking energy: -303.198 Base-Backbone interact. energy: -0.922 local terms energy: -290.689823 where: bonds (distance) C4'-P energy: -49.791 bonds (distance) P-C4' energy: -45.155 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -989.948890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.948890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.948890 (E_RNA) where: Base-Base interactions energy: -676.912 where: short stacking energy: -297.274 Base-Backbone interact. energy: -0.047 local terms energy: -312.990304 where: bonds (distance) C4'-P energy: -52.761 bonds (distance) P-C4' energy: -60.332 flat angles C4'-P-C4' energy: -69.996 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -87.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -920.997125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.997125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.997125 (E_RNA) where: Base-Base interactions energy: -636.438 where: short stacking energy: -265.854 Base-Backbone interact. energy: 0.462 local terms energy: -285.021070 where: bonds (distance) C4'-P energy: -54.850 bonds (distance) P-C4' energy: -63.150 flat angles C4'-P-C4' energy: -60.120 flat angles P-C4'-P energy: -38.617 tors. eta vs tors. theta energy: -68.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -706.050424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.050424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.050424 (E_RNA) where: Base-Base interactions energy: -472.676 where: short stacking energy: -212.704 Base-Backbone interact. energy: 0.697 local terms energy: -234.071333 where: bonds (distance) C4'-P energy: -45.245 bonds (distance) P-C4' energy: -61.099 flat angles C4'-P-C4' energy: -54.653 flat angles P-C4'-P energy: -27.260 tors. eta vs tors. theta energy: -45.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -699.846330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.846330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.846330 (E_RNA) where: Base-Base interactions energy: -475.281 where: short stacking energy: -215.635 Base-Backbone interact. energy: -0.528 local terms energy: -224.037132 where: bonds (distance) C4'-P energy: -52.677 bonds (distance) P-C4' energy: -59.480 flat angles C4'-P-C4' energy: -46.329 flat angles P-C4'-P energy: -17.505 tors. eta vs tors. theta energy: -48.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -546.888730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.888730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.888730 (E_RNA) where: Base-Base interactions energy: -341.830 where: short stacking energy: -164.692 Base-Backbone interact. energy: -0.401 local terms energy: -204.657295 where: bonds (distance) C4'-P energy: -54.108 bonds (distance) P-C4' energy: -53.417 flat angles C4'-P-C4' energy: -49.418 flat angles P-C4'-P energy: -30.899 tors. eta vs tors. theta energy: -16.816 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: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1134.308745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.308745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.308745 (E_RNA) where: Base-Base interactions energy: -779.587 where: short stacking energy: -344.539 Base-Backbone interact. energy: -2.173 local terms energy: -352.548502 where: bonds (distance) C4'-P energy: -61.519 bonds (distance) P-C4' energy: -74.968 flat angles C4'-P-C4' energy: -80.423 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -94.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1120.298327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.298327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.298327 (E_RNA) where: Base-Base interactions energy: -784.010 where: short stacking energy: -339.563 Base-Backbone interact. energy: -1.593 local terms energy: -334.695059 where: bonds (distance) C4'-P energy: -69.321 bonds (distance) P-C4' energy: -62.313 flat angles C4'-P-C4' energy: -74.692 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: -85.965 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: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1077.206259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.206259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.206259 (E_RNA) where: Base-Base interactions energy: -751.305 where: short stacking energy: -335.772 Base-Backbone interact. energy: -1.087 local terms energy: -324.813898 where: bonds (distance) C4'-P energy: -60.057 bonds (distance) P-C4' energy: -56.638 flat angles C4'-P-C4' energy: -68.760 flat angles P-C4'-P energy: -48.186 tors. eta vs tors. theta energy: -91.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -981.805887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.805887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.805887 (E_RNA) where: Base-Base interactions energy: -684.721 where: short stacking energy: -308.233 Base-Backbone interact. energy: -0.611 local terms energy: -296.474060 where: bonds (distance) C4'-P energy: -58.088 bonds (distance) P-C4' energy: -53.360 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -47.481 tors. eta vs tors. theta energy: -72.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1013.105919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.105919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.105919 (E_RNA) where: Base-Base interactions energy: -715.867 where: short stacking energy: -305.397 Base-Backbone interact. energy: -0.005 local terms energy: -297.233158 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -57.956 flat angles C4'-P-C4' energy: -55.431 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -85.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -931.144158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.144158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.144158 (E_RNA) where: Base-Base interactions energy: -631.190 where: short stacking energy: -267.684 Base-Backbone interact. energy: -1.270 local terms energy: -298.683928 where: bonds (distance) C4'-P energy: -61.263 bonds (distance) P-C4' energy: -61.627 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -38.852 tors. eta vs tors. theta energy: -74.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -914.299396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.299396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.299396 (E_RNA) where: Base-Base interactions energy: -630.265 where: short stacking energy: -266.055 Base-Backbone interact. energy: -0.214 local terms energy: -283.821038 where: bonds (distance) C4'-P energy: -45.034 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -62.319 flat angles P-C4'-P energy: -40.227 tors. eta vs tors. theta energy: -71.464 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: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -684.853613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.853613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.853613 (E_RNA) where: Base-Base interactions energy: -451.295 where: short stacking energy: -199.174 Base-Backbone interact. energy: 2.375 local terms energy: -235.933900 where: bonds (distance) C4'-P energy: -46.556 bonds (distance) P-C4' energy: -53.335 flat angles C4'-P-C4' energy: -50.547 flat angles P-C4'-P energy: -39.399 tors. eta vs tors. theta energy: -46.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -695.882591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.882591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.882591 (E_RNA) where: Base-Base interactions energy: -458.077 where: short stacking energy: -191.600 Base-Backbone interact. energy: 0.170 local terms energy: -237.975883 where: bonds (distance) C4'-P energy: -45.813 bonds (distance) P-C4' energy: -55.443 flat angles C4'-P-C4' energy: -51.216 flat angles P-C4'-P energy: -39.916 tors. eta vs tors. theta energy: -45.588 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: 10, replica: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -599.500517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.500517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.500517 (E_RNA) where: Base-Base interactions energy: -407.594 where: short stacking energy: -172.998 Base-Backbone interact. energy: 1.739 local terms energy: -193.645268 where: bonds (distance) C4'-P energy: -31.410 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -50.240 flat angles P-C4'-P energy: -26.713 tors. eta vs tors. theta energy: -27.733 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: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1133.849328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.849328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.849328 (E_RNA) where: Base-Base interactions energy: -779.964 where: short stacking energy: -336.202 Base-Backbone interact. energy: 0.139 local terms energy: -354.024523 where: bonds (distance) C4'-P energy: -59.260 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -75.774 flat angles P-C4'-P energy: -49.761 tors. eta vs tors. theta energy: -101.567 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: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1134.090951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.090951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.090951 (E_RNA) where: Base-Base interactions energy: -802.441 where: short stacking energy: -343.221 Base-Backbone interact. energy: -0.328 local terms energy: -331.322405 where: bonds (distance) C4'-P energy: -63.735 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -65.065 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -91.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1073.840983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.840983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.840983 (E_RNA) where: Base-Base interactions energy: -744.698 where: short stacking energy: -328.269 Base-Backbone interact. energy: 0.017 local terms energy: -329.159852 where: bonds (distance) C4'-P energy: -56.772 bonds (distance) P-C4' energy: -66.809 flat angles C4'-P-C4' energy: -66.195 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -91.985 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: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1061.512889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.512889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.512889 (E_RNA) where: Base-Base interactions energy: -734.416 where: short stacking energy: -313.285 Base-Backbone interact. energy: 1.754 local terms energy: -328.850942 where: bonds (distance) C4'-P energy: -62.029 bonds (distance) P-C4' energy: -50.244 flat angles C4'-P-C4' energy: -72.549 flat angles P-C4'-P energy: -46.790 tors. eta vs tors. theta energy: -97.240 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: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -977.732419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.732419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.732419 (E_RNA) where: Base-Base interactions energy: -673.808 where: short stacking energy: -301.668 Base-Backbone interact. energy: -0.761 local terms energy: -303.163461 where: bonds (distance) C4'-P energy: -64.248 bonds (distance) P-C4' energy: -51.452 flat angles C4'-P-C4' energy: -60.167 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: -86.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -965.750381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.750381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.750381 (E_RNA) where: Base-Base interactions energy: -668.078 where: short stacking energy: -308.891 Base-Backbone interact. energy: 1.410 local terms energy: -299.082756 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -57.973 flat angles C4'-P-C4' energy: -62.112 flat angles P-C4'-P energy: -36.832 tors. eta vs tors. theta energy: -84.624 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: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -920.109326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.109326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.109326 (E_RNA) where: Base-Base interactions energy: -640.675 where: short stacking energy: -270.427 Base-Backbone interact. energy: -1.211 local terms energy: -278.223561 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -45.432 flat angles C4'-P-C4' energy: -68.273 flat angles P-C4'-P energy: -33.135 tors. eta vs tors. theta energy: -75.673 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: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -697.050177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.050177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.050177 (E_RNA) where: Base-Base interactions energy: -457.701 where: short stacking energy: -206.316 Base-Backbone interact. energy: -1.314 local terms energy: -238.035411 where: bonds (distance) C4'-P energy: -50.409 bonds (distance) P-C4' energy: -54.883 flat angles C4'-P-C4' energy: -57.197 flat angles P-C4'-P energy: -30.711 tors. eta vs tors. theta energy: -44.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -702.830015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.830015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.830015 (E_RNA) where: Base-Base interactions energy: -461.209 where: short stacking energy: -194.640 Base-Backbone interact. energy: 0.041 local terms energy: -241.662064 where: bonds (distance) C4'-P energy: -50.514 bonds (distance) P-C4' energy: -52.172 flat angles C4'-P-C4' energy: -62.346 flat angles P-C4'-P energy: -37.415 tors. eta vs tors. theta energy: -39.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -561.278077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.278077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.278077 (E_RNA) where: Base-Base interactions energy: -354.619 where: short stacking energy: -175.828 Base-Backbone interact. energy: -2.408 local terms energy: -204.250578 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -48.095 flat angles C4'-P-C4' energy: -45.313 flat angles P-C4'-P energy: -35.591 tors. eta vs tors. theta energy: -23.073 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: 380 Temperature: 0.900000 Total energy: -1135.434867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.434867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.434867 (E_RNA) where: Base-Base interactions energy: -797.337 where: short stacking energy: -339.564 Base-Backbone interact. energy: -1.495 local terms energy: -336.602848 where: bonds (distance) C4'-P energy: -62.835 bonds (distance) P-C4' energy: -65.320 flat angles C4'-P-C4' energy: -73.981 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -91.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1098.342010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.342010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.342010 (E_RNA) where: Base-Base interactions energy: -767.368 where: short stacking energy: -355.132 Base-Backbone interact. energy: 0.436 local terms energy: -331.409189 where: bonds (distance) C4'-P energy: -64.012 bonds (distance) P-C4' energy: -52.780 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -103.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1094.654066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.654066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.654066 (E_RNA) where: Base-Base interactions energy: -744.386 where: short stacking energy: -336.668 Base-Backbone interact. energy: 0.315 local terms energy: -350.582698 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -62.098 flat angles C4'-P-C4' energy: -72.509 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -96.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1075.158469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.158469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.158469 (E_RNA) where: Base-Base interactions energy: -744.083 where: short stacking energy: -334.647 Base-Backbone interact. energy: 0.123 local terms energy: -331.198612 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -66.737 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -89.327 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: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1007.820602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.820602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.820602 (E_RNA) where: Base-Base interactions energy: -686.029 where: short stacking energy: -309.276 Base-Backbone interact. energy: 1.294 local terms energy: -323.085552 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -55.060 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -94.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -917.837532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.837532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.837532 (E_RNA) where: Base-Base interactions energy: -611.706 where: short stacking energy: -267.621 Base-Backbone interact. energy: -2.482 local terms energy: -303.649750 where: bonds (distance) C4'-P energy: -62.631 bonds (distance) P-C4' energy: -55.372 flat angles C4'-P-C4' energy: -77.638 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: -75.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -913.610015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.610015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.610015 (E_RNA) where: Base-Base interactions energy: -626.302 where: short stacking energy: -280.607 Base-Backbone interact. energy: 0.709 local terms energy: -288.016356 where: bonds (distance) C4'-P energy: -48.592 bonds (distance) P-C4' energy: -54.206 flat angles C4'-P-C4' energy: -65.603 flat angles P-C4'-P energy: -43.336 tors. eta vs tors. theta energy: -76.280 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: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -685.313038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.313038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.313038 (E_RNA) where: Base-Base interactions energy: -450.651 where: short stacking energy: -187.679 Base-Backbone interact. energy: -1.582 local terms energy: -233.079359 where: bonds (distance) C4'-P energy: -44.799 bonds (distance) P-C4' energy: -61.262 flat angles C4'-P-C4' energy: -61.701 flat angles P-C4'-P energy: -30.093 tors. eta vs tors. theta energy: -35.226 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: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -582.796004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.796004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.796004 (E_RNA) where: Base-Base interactions energy: -356.125 where: short stacking energy: -168.457 Base-Backbone interact. energy: -1.507 local terms energy: -225.163717 where: bonds (distance) C4'-P energy: -52.552 bonds (distance) P-C4' energy: -45.084 flat angles C4'-P-C4' energy: -56.860 flat angles P-C4'-P energy: -43.531 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: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -629.122192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.122192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.122192 (E_RNA) where: Base-Base interactions energy: -415.723 where: short stacking energy: -181.048 Base-Backbone interact. energy: -0.752 local terms energy: -212.647159 where: bonds (distance) C4'-P energy: -57.096 bonds (distance) P-C4' energy: -42.899 flat angles C4'-P-C4' energy: -45.043 flat angles P-C4'-P energy: -35.089 tors. eta vs tors. theta energy: -32.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1150.510143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.510143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.510143 (E_RNA) where: Base-Base interactions energy: -798.430 where: short stacking energy: -343.219 Base-Backbone interact. energy: -0.715 local terms energy: -351.364710 where: bonds (distance) C4'-P energy: -62.164 bonds (distance) P-C4' energy: -71.646 flat angles C4'-P-C4' energy: -78.147 flat angles P-C4'-P energy: -48.345 tors. eta vs tors. theta energy: -91.062 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: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1097.394764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.394764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.394764 (E_RNA) where: Base-Base interactions energy: -748.097 where: short stacking energy: -317.640 Base-Backbone interact. energy: -0.247 local terms energy: -349.050684 where: bonds (distance) C4'-P energy: -58.641 bonds (distance) P-C4' energy: -69.474 flat angles C4'-P-C4' energy: -74.140 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -96.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1064.350057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.350057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.350057 (E_RNA) where: Base-Base interactions energy: -721.474 where: short stacking energy: -324.947 Base-Backbone interact. energy: -1.274 local terms energy: -341.601248 where: bonds (distance) C4'-P energy: -72.505 bonds (distance) P-C4' energy: -68.042 flat angles C4'-P-C4' energy: -67.688 flat angles P-C4'-P energy: -46.873 tors. eta vs tors. theta energy: -86.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1095.605205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.605205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.605205 (E_RNA) where: Base-Base interactions energy: -772.877 where: short stacking energy: -334.889 Base-Backbone interact. energy: -0.313 local terms energy: -322.415486 where: bonds (distance) C4'-P energy: -57.813 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -67.470 flat angles P-C4'-P energy: -40.036 tors. eta vs tors. theta energy: -92.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -966.916483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.916483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.916483 (E_RNA) where: Base-Base interactions energy: -660.593 where: short stacking energy: -295.395 Base-Backbone interact. energy: -1.350 local terms energy: -304.973992 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -61.993 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -39.779 tors. eta vs tors. theta energy: -80.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -916.705737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.705737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.705737 (E_RNA) where: Base-Base interactions energy: -641.338 where: short stacking energy: -266.060 Base-Backbone interact. energy: 1.889 local terms energy: -277.256088 where: bonds (distance) C4'-P energy: -50.834 bonds (distance) P-C4' energy: -59.525 flat angles C4'-P-C4' energy: -61.023 flat angles P-C4'-P energy: -41.364 tors. eta vs tors. theta energy: -64.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -921.434065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.434065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.434065 (E_RNA) where: Base-Base interactions energy: -616.175 where: short stacking energy: -269.289 Base-Backbone interact. energy: -1.738 local terms energy: -303.521663 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -59.000 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -78.464 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: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -676.954203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.954203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.954203 (E_RNA) where: Base-Base interactions energy: -443.195 where: short stacking energy: -201.264 Base-Backbone interact. energy: -0.784 local terms energy: -232.974644 where: bonds (distance) C4'-P energy: -56.761 bonds (distance) P-C4' energy: -47.787 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: -33.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -583.615187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.615187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.615187 (E_RNA) where: Base-Base interactions energy: -393.505 where: short stacking energy: -173.119 Base-Backbone interact. energy: -0.618 local terms energy: -189.492903 where: bonds (distance) C4'-P energy: -48.987 bonds (distance) P-C4' energy: -47.112 flat angles C4'-P-C4' energy: -32.844 flat angles P-C4'-P energy: -31.688 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: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -646.042110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.042110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.042110 (E_RNA) where: Base-Base interactions energy: -428.455 where: short stacking energy: -177.601 Base-Backbone interact. energy: 0.589 local terms energy: -218.176210 where: bonds (distance) C4'-P energy: -40.079 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -53.340 flat angles P-C4'-P energy: -34.325 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: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1157.861673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.861673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.861673 (E_RNA) where: Base-Base interactions energy: -806.670 where: short stacking energy: -348.105 Base-Backbone interact. energy: -1.299 local terms energy: -349.892345 where: bonds (distance) C4'-P energy: -64.311 bonds (distance) P-C4' energy: -64.597 flat angles C4'-P-C4' energy: -78.611 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -97.406 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: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1106.175217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.175217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.175217 (E_RNA) where: Base-Base interactions energy: -764.155 where: short stacking energy: -345.628 Base-Backbone interact. energy: 1.383 local terms energy: -343.403147 where: bonds (distance) C4'-P energy: -66.197 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -71.833 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -96.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1065.182681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.182681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.182681 (E_RNA) where: Base-Base interactions energy: -733.644 where: short stacking energy: -318.662 Base-Backbone interact. energy: -0.934 local terms energy: -330.605141 where: bonds (distance) C4'-P energy: -67.903 bonds (distance) P-C4' energy: -60.526 flat angles C4'-P-C4' energy: -62.103 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -91.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1071.493461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.493461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.493461 (E_RNA) where: Base-Base interactions energy: -741.959 where: short stacking energy: -325.635 Base-Backbone interact. energy: -2.223 local terms energy: -327.311540 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -61.406 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -91.769 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: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -958.483075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.483075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.483075 (E_RNA) where: Base-Base interactions energy: -657.851 where: short stacking energy: -293.973 Base-Backbone interact. energy: -0.359 local terms energy: -300.273742 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -53.074 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -38.307 tors. eta vs tors. theta energy: -80.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -936.574021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.574021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.574021 (E_RNA) where: Base-Base interactions energy: -656.502 where: short stacking energy: -292.046 Base-Backbone interact. energy: 9.032 local terms energy: -289.104303 where: bonds (distance) C4'-P energy: -50.172 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -36.308 tors. eta vs tors. theta energy: -78.954 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: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -902.922954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.922954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.922954 (E_RNA) where: Base-Base interactions energy: -635.769 where: short stacking energy: -284.596 Base-Backbone interact. energy: 2.221 local terms energy: -269.375292 where: bonds (distance) C4'-P energy: -47.196 bonds (distance) P-C4' energy: -51.725 flat angles C4'-P-C4' energy: -53.744 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -76.055 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: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -701.992162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.992162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.992162 (E_RNA) where: Base-Base interactions energy: -452.979 where: short stacking energy: -210.906 Base-Backbone interact. energy: -2.358 local terms energy: -246.654503 where: bonds (distance) C4'-P energy: -61.673 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -56.709 flat angles P-C4'-P energy: -31.365 tors. eta vs tors. theta energy: -40.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -656.005452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.005452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.005452 (E_RNA) where: Base-Base interactions energy: -420.053 where: short stacking energy: -194.996 Base-Backbone interact. energy: -0.278 local terms energy: -235.674624 where: bonds (distance) C4'-P energy: -52.423 bonds (distance) P-C4' energy: -59.875 flat angles C4'-P-C4' energy: -39.667 flat angles P-C4'-P energy: -39.957 tors. eta vs tors. theta energy: -43.753 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: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -608.516480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.516480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.516480 (E_RNA) where: Base-Base interactions energy: -384.464 where: short stacking energy: -166.114 Base-Backbone interact. energy: -0.629 local terms energy: -223.423662 where: bonds (distance) C4'-P energy: -51.757 bonds (distance) P-C4' energy: -51.780 flat angles C4'-P-C4' energy: -46.392 flat angles P-C4'-P energy: -36.829 tors. eta vs tors. theta energy: -36.665 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: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1150.821246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.821246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.821246 (E_RNA) where: Base-Base interactions energy: -815.871 where: short stacking energy: -343.450 Base-Backbone interact. energy: -2.161 local terms energy: -332.789131 where: bonds (distance) C4'-P energy: -61.216 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -69.280 flat angles P-C4'-P energy: -48.392 tors. eta vs tors. theta energy: -94.567 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: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1110.092069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.092069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.092069 (E_RNA) where: Base-Base interactions energy: -766.084 where: short stacking energy: -335.529 Base-Backbone interact. energy: -1.115 local terms energy: -342.893036 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -62.090 flat angles C4'-P-C4' energy: -78.314 flat angles P-C4'-P energy: -49.532 tors. eta vs tors. theta energy: -92.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1053.401285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.401285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.401285 (E_RNA) where: Base-Base interactions energy: -727.304 where: short stacking energy: -312.118 Base-Backbone interact. energy: -1.996 local terms energy: -324.100982 where: bonds (distance) C4'-P energy: -58.986 bonds (distance) P-C4' energy: -60.666 flat angles C4'-P-C4' energy: -69.077 flat angles P-C4'-P energy: -44.521 tors. eta vs tors. theta energy: -90.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1093.390854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.390854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.390854 (E_RNA) where: Base-Base interactions energy: -762.467 where: short stacking energy: -353.529 Base-Backbone interact. energy: -1.879 local terms energy: -329.045109 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -67.026 flat angles C4'-P-C4' energy: -65.500 flat angles P-C4'-P energy: -45.813 tors. eta vs tors. theta energy: -95.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -970.360814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.360814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.360814 (E_RNA) where: Base-Base interactions energy: -664.322 where: short stacking energy: -297.082 Base-Backbone interact. energy: -1.142 local terms energy: -304.897043 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -70.680 flat angles P-C4'-P energy: -36.697 tors. eta vs tors. theta energy: -80.592 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: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -948.646461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.646461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.646461 (E_RNA) where: Base-Base interactions energy: -660.001 where: short stacking energy: -280.371 Base-Backbone interact. energy: 4.960 local terms energy: -293.605865 where: bonds (distance) C4'-P energy: -50.484 bonds (distance) P-C4' energy: -52.479 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -71.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -872.220869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.220869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.220869 (E_RNA) where: Base-Base interactions energy: -596.198 where: short stacking energy: -255.276 Base-Backbone interact. energy: -1.306 local terms energy: -274.716553 where: bonds (distance) C4'-P energy: -45.342 bonds (distance) P-C4' energy: -69.382 flat angles C4'-P-C4' energy: -65.929 flat angles P-C4'-P energy: -34.513 tors. eta vs tors. theta energy: -59.551 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -739.472612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.472612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.472612 (E_RNA) where: Base-Base interactions energy: -481.409 where: short stacking energy: -216.432 Base-Backbone interact. energy: -1.267 local terms energy: -256.796798 where: bonds (distance) C4'-P energy: -48.231 bonds (distance) P-C4' energy: -60.161 flat angles C4'-P-C4' energy: -62.529 flat angles P-C4'-P energy: -38.038 tors. eta vs tors. theta energy: -47.838 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: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -723.010467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.010467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.010467 (E_RNA) where: Base-Base interactions energy: -466.567 where: short stacking energy: -206.101 Base-Backbone interact. energy: -1.073 local terms energy: -255.369862 where: bonds (distance) C4'-P energy: -59.709 bonds (distance) P-C4' energy: -50.116 flat angles C4'-P-C4' energy: -57.715 flat angles P-C4'-P energy: -43.465 tors. eta vs tors. theta energy: -44.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -673.604561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.604561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.604561 (E_RNA) where: Base-Base interactions energy: -446.999 where: short stacking energy: -203.111 Base-Backbone interact. energy: -0.871 local terms energy: -225.734847 where: bonds (distance) C4'-P energy: -42.393 bonds (distance) P-C4' energy: -62.413 flat angles C4'-P-C4' energy: -53.505 flat angles P-C4'-P energy: -27.079 tors. eta vs tors. theta energy: -40.345 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: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1144.092298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.092298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.092298 (E_RNA) where: Base-Base interactions energy: -802.953 where: short stacking energy: -347.360 Base-Backbone interact. energy: -2.686 local terms energy: -338.453940 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -58.791 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -94.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1090.947831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.947831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.947831 (E_RNA) where: Base-Base interactions energy: -755.151 where: short stacking energy: -336.771 Base-Backbone interact. energy: -1.264 local terms energy: -334.533618 where: bonds (distance) C4'-P energy: -70.221 bonds (distance) P-C4' energy: -47.375 flat angles C4'-P-C4' energy: -75.021 flat angles P-C4'-P energy: -50.820 tors. eta vs tors. theta energy: -91.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1076.419104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.419104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.419104 (E_RNA) where: Base-Base interactions energy: -752.204 where: short stacking energy: -323.923 Base-Backbone interact. energy: -0.254 local terms energy: -323.961281 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -64.803 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -43.089 tors. eta vs tors. theta energy: -92.208 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: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1083.871251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.871251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.871251 (E_RNA) where: Base-Base interactions energy: -759.064 where: short stacking energy: -338.370 Base-Backbone interact. energy: -1.155 local terms energy: -323.651887 where: bonds (distance) C4'-P energy: -56.861 bonds (distance) P-C4' energy: -61.047 flat angles C4'-P-C4' energy: -68.650 flat angles P-C4'-P energy: -49.912 tors. eta vs tors. theta energy: -87.182 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: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -948.246211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.246211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.246211 (E_RNA) where: Base-Base interactions energy: -642.145 where: short stacking energy: -265.865 Base-Backbone interact. energy: 4.875 local terms energy: -310.975989 where: bonds (distance) C4'-P energy: -52.129 bonds (distance) P-C4' energy: -72.184 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -79.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -952.279523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.279523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.279523 (E_RNA) where: Base-Base interactions energy: -642.970 where: short stacking energy: -293.214 Base-Backbone interact. energy: -1.265 local terms energy: -308.044491 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -64.874 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -76.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -767.079259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.079259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.079259 (E_RNA) where: Base-Base interactions energy: -503.843 where: short stacking energy: -226.464 Base-Backbone interact. energy: -1.177 local terms energy: -262.058430 where: bonds (distance) C4'-P energy: -62.796 bonds (distance) P-C4' energy: -58.015 flat angles C4'-P-C4' energy: -52.296 flat angles P-C4'-P energy: -34.184 tors. eta vs tors. theta energy: -54.768 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: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -810.006290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.006290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.006290 (E_RNA) where: Base-Base interactions energy: -547.859 where: short stacking energy: -241.082 Base-Backbone interact. energy: 0.031 local terms energy: -262.178461 where: bonds (distance) C4'-P energy: -61.274 bonds (distance) P-C4' energy: -48.004 flat angles C4'-P-C4' energy: -52.541 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -55.938 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: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -712.830718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.830718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.830718 (E_RNA) where: Base-Base interactions energy: -478.921 where: short stacking energy: -214.367 Base-Backbone interact. energy: 1.513 local terms energy: -235.423007 where: bonds (distance) C4'-P energy: -56.325 bonds (distance) P-C4' energy: -51.321 flat angles C4'-P-C4' energy: -56.035 flat angles P-C4'-P energy: -33.651 tors. eta vs tors. theta energy: -38.091 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: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -620.576333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.576333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.576333 (E_RNA) where: Base-Base interactions energy: -430.099 where: short stacking energy: -176.844 Base-Backbone interact. energy: -0.314 local terms energy: -190.162877 where: bonds (distance) C4'-P energy: -39.396 bonds (distance) P-C4' energy: -49.275 flat angles C4'-P-C4' energy: -52.572 flat angles P-C4'-P energy: -29.496 tors. eta vs tors. theta energy: -19.424 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: 385 Temperature: 0.900000 Total energy: -1159.623972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.623972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.623972 (E_RNA) where: Base-Base interactions energy: -796.152 where: short stacking energy: -349.544 Base-Backbone interact. energy: -2.057 local terms energy: -361.415163 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -73.930 flat angles C4'-P-C4' energy: -74.501 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -99.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1103.429362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.429362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.429362 (E_RNA) where: Base-Base interactions energy: -774.915 where: short stacking energy: -338.881 Base-Backbone interact. energy: -0.304 local terms energy: -328.210307 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -63.162 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -94.674 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: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1066.943482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.943482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.943482 (E_RNA) where: Base-Base interactions energy: -746.596 where: short stacking energy: -315.059 Base-Backbone interact. energy: -1.291 local terms energy: -319.056441 where: bonds (distance) C4'-P energy: -49.509 bonds (distance) P-C4' energy: -62.313 flat angles C4'-P-C4' energy: -66.582 flat angles P-C4'-P energy: -44.728 tors. eta vs tors. theta energy: -95.924 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: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1079.825312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.825312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.825312 (E_RNA) where: Base-Base interactions energy: -750.537 where: short stacking energy: -330.328 Base-Backbone interact. energy: -1.097 local terms energy: -328.191348 where: bonds (distance) C4'-P energy: -56.371 bonds (distance) P-C4' energy: -53.514 flat angles C4'-P-C4' energy: -70.991 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -99.380 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: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -951.633433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.633433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.633433 (E_RNA) where: Base-Base interactions energy: -669.658 where: short stacking energy: -276.583 Base-Backbone interact. energy: 14.225 local terms energy: -296.200609 where: bonds (distance) C4'-P energy: -53.266 bonds (distance) P-C4' energy: -59.637 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -46.486 tors. eta vs tors. theta energy: -71.683 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: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -922.193100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.193100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.193100 (E_RNA) where: Base-Base interactions energy: -628.918 where: short stacking energy: -262.871 Base-Backbone interact. energy: -0.043 local terms energy: -293.232368 where: bonds (distance) C4'-P energy: -46.623 bonds (distance) P-C4' energy: -69.367 flat angles C4'-P-C4' energy: -58.965 flat angles P-C4'-P energy: -46.316 tors. eta vs tors. theta energy: -71.961 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: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -755.038998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.038998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.038998 (E_RNA) where: Base-Base interactions energy: -495.836 where: short stacking energy: -244.386 Base-Backbone interact. energy: -0.776 local terms energy: -258.426876 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -40.490 flat angles C4'-P-C4' energy: -61.610 flat angles P-C4'-P energy: -40.799 tors. eta vs tors. theta energy: -55.067 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: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -807.022146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.022146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.022146 (E_RNA) where: Base-Base interactions energy: -564.170 where: short stacking energy: -226.703 Base-Backbone interact. energy: -0.508 local terms energy: -242.343649 where: bonds (distance) C4'-P energy: -55.034 bonds (distance) P-C4' energy: -49.668 flat angles C4'-P-C4' energy: -52.787 flat angles P-C4'-P energy: -37.006 tors. eta vs tors. theta energy: -47.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -718.197789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.197789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.197789 (E_RNA) where: Base-Base interactions energy: -472.081 where: short stacking energy: -200.126 Base-Backbone interact. energy: -0.808 local terms energy: -245.308641 where: bonds (distance) C4'-P energy: -51.647 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -58.235 flat angles P-C4'-P energy: -33.061 tors. eta vs tors. theta energy: -42.567 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: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -604.938345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.938345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.938345 (E_RNA) where: Base-Base interactions energy: -394.099 where: short stacking energy: -179.152 Base-Backbone interact. energy: -3.516 local terms energy: -207.323590 where: bonds (distance) C4'-P energy: -47.396 bonds (distance) P-C4' energy: -46.575 flat angles C4'-P-C4' energy: -62.663 flat angles P-C4'-P energy: -30.772 tors. eta vs tors. theta energy: -19.918 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: 386 Temperature: 0.900000 Total energy: -1155.114845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.114845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.114845 (E_RNA) where: Base-Base interactions energy: -789.900 where: short stacking energy: -356.689 Base-Backbone interact. energy: -1.655 local terms energy: -363.559448 where: bonds (distance) C4'-P energy: -70.455 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -79.869 flat angles P-C4'-P energy: -54.649 tors. eta vs tors. theta energy: -99.516 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: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1107.794458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.794458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.794458 (E_RNA) where: Base-Base interactions energy: -780.166 where: short stacking energy: -339.491 Base-Backbone interact. energy: -0.643 local terms energy: -326.985207 where: bonds (distance) C4'-P energy: -64.304 bonds (distance) P-C4' energy: -55.986 flat angles C4'-P-C4' energy: -70.915 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -89.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1113.182283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.182283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.182283 (E_RNA) where: Base-Base interactions energy: -782.942 where: short stacking energy: -338.979 Base-Backbone interact. energy: -1.618 local terms energy: -328.622641 where: bonds (distance) C4'-P energy: -67.190 bonds (distance) P-C4' energy: -54.120 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: -103.052 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: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1073.140445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.140445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.140445 (E_RNA) where: Base-Base interactions energy: -754.690 where: short stacking energy: -333.882 Base-Backbone interact. energy: -0.610 local terms energy: -317.841106 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -61.359 flat angles C4'-P-C4' energy: -64.391 flat angles P-C4'-P energy: -43.294 tors. eta vs tors. theta energy: -90.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -972.000815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.000815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.000815 (E_RNA) where: Base-Base interactions energy: -671.337 where: short stacking energy: -300.068 Base-Backbone interact. energy: 0.084 local terms energy: -300.748132 where: bonds (distance) C4'-P energy: -59.407 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -57.605 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: -85.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -929.422967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.422967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.422967 (E_RNA) where: Base-Base interactions energy: -633.980 where: short stacking energy: -266.623 Base-Backbone interact. energy: -2.003 local terms energy: -293.439419 where: bonds (distance) C4'-P energy: -58.460 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -58.994 flat angles P-C4'-P energy: -38.659 tors. eta vs tors. theta energy: -72.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -865.042431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.042431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.042431 (E_RNA) where: Base-Base interactions energy: -601.283 where: short stacking energy: -240.218 Base-Backbone interact. energy: 1.854 local terms energy: -265.612838 where: bonds (distance) C4'-P energy: -48.212 bonds (distance) P-C4' energy: -45.250 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -68.750 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: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -726.388296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.388296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.388296 (E_RNA) where: Base-Base interactions energy: -487.435 where: short stacking energy: -224.927 Base-Backbone interact. energy: -3.954 local terms energy: -234.998999 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -50.215 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -26.322 tors. eta vs tors. theta energy: -48.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -708.745943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.745943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.745943 (E_RNA) where: Base-Base interactions energy: -464.441 where: short stacking energy: -210.338 Base-Backbone interact. energy: -1.398 local terms energy: -242.907058 where: bonds (distance) C4'-P energy: -50.724 bonds (distance) P-C4' energy: -48.621 flat angles C4'-P-C4' energy: -53.286 flat angles P-C4'-P energy: -36.404 tors. eta vs tors. theta energy: -53.872 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: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -606.612303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.612303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.612303 (E_RNA) where: Base-Base interactions energy: -379.094 where: short stacking energy: -168.053 Base-Backbone interact. energy: -1.139 local terms energy: -226.378783 where: bonds (distance) C4'-P energy: -51.264 bonds (distance) P-C4' energy: -56.856 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -33.289 tors. eta vs tors. theta energy: -24.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1144.696071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.696071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.696071 (E_RNA) where: Base-Base interactions energy: -795.986 where: short stacking energy: -343.164 Base-Backbone interact. energy: -1.665 local terms energy: -347.044414 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -78.278 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -94.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1096.189667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.189667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.189667 (E_RNA) where: Base-Base interactions energy: -748.546 where: short stacking energy: -322.673 Base-Backbone interact. energy: -1.224 local terms energy: -346.420507 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -70.766 flat angles C4'-P-C4' energy: -72.741 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -89.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1119.215513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.215513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.215513 (E_RNA) where: Base-Base interactions energy: -786.365 where: short stacking energy: -342.235 Base-Backbone interact. energy: -1.171 local terms energy: -331.680162 where: bonds (distance) C4'-P energy: -61.156 bonds (distance) P-C4' energy: -59.759 flat angles C4'-P-C4' energy: -73.949 flat angles P-C4'-P energy: -36.750 tors. eta vs tors. theta energy: -100.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1084.128660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.128660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.128660 (E_RNA) where: Base-Base interactions energy: -779.498 where: short stacking energy: -325.993 Base-Backbone interact. energy: 0.243 local terms energy: -304.873807 where: bonds (distance) C4'-P energy: -50.115 bonds (distance) P-C4' energy: -52.756 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -45.363 tors. eta vs tors. theta energy: -91.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -967.340815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.340815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.340815 (E_RNA) where: Base-Base interactions energy: -669.104 where: short stacking energy: -305.194 Base-Backbone interact. energy: -0.169 local terms energy: -298.067249 where: bonds (distance) C4'-P energy: -65.434 bonds (distance) P-C4' energy: -60.854 flat angles C4'-P-C4' energy: -61.906 flat angles P-C4'-P energy: -35.529 tors. eta vs tors. theta energy: -74.344 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: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -946.306634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.306634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.306634 (E_RNA) where: Base-Base interactions energy: -638.543 where: short stacking energy: -280.589 Base-Backbone interact. energy: -0.876 local terms energy: -306.887402 where: bonds (distance) C4'-P energy: -54.987 bonds (distance) P-C4' energy: -72.026 flat angles C4'-P-C4' energy: -65.814 flat angles P-C4'-P energy: -36.721 tors. eta vs tors. theta energy: -77.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -889.917501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.917501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.917501 (E_RNA) where: Base-Base interactions energy: -615.838 where: short stacking energy: -268.970 Base-Backbone interact. energy: -1.703 local terms energy: -272.376459 where: bonds (distance) C4'-P energy: -53.115 bonds (distance) P-C4' energy: -65.261 flat angles C4'-P-C4' energy: -53.416 flat angles P-C4'-P energy: -38.499 tors. eta vs tors. theta energy: -62.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -758.368494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.368494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.368494 (E_RNA) where: Base-Base interactions energy: -522.338 where: short stacking energy: -233.099 Base-Backbone interact. energy: 0.930 local terms energy: -236.960847 where: bonds (distance) C4'-P energy: -38.425 bonds (distance) P-C4' energy: -48.441 flat angles C4'-P-C4' energy: -59.211 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: -58.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -703.012138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.012138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.012138 (E_RNA) where: Base-Base interactions energy: -444.158 where: short stacking energy: -212.222 Base-Backbone interact. energy: -1.243 local terms energy: -257.610859 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -43.731 flat angles C4'-P-C4' energy: -66.713 flat angles P-C4'-P energy: -37.961 tors. eta vs tors. theta energy: -48.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -610.877917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.877917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.877917 (E_RNA) where: Base-Base interactions energy: -396.166 where: short stacking energy: -179.950 Base-Backbone interact. energy: -1.569 local terms energy: -213.143178 where: bonds (distance) C4'-P energy: -54.593 bonds (distance) P-C4' energy: -43.100 flat angles C4'-P-C4' energy: -54.514 flat angles P-C4'-P energy: -32.800 tors. eta vs tors. theta energy: -28.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1157.293480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.293480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.293480 (E_RNA) where: Base-Base interactions energy: -795.194 where: short stacking energy: -349.391 Base-Backbone interact. energy: -0.911 local terms energy: -361.187852 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -75.418 flat angles P-C4'-P energy: -52.386 tors. eta vs tors. theta energy: -100.070 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: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1102.002055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.002055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.002055 (E_RNA) where: Base-Base interactions energy: -762.483 where: short stacking energy: -329.580 Base-Backbone interact. energy: -0.827 local terms energy: -338.691458 where: bonds (distance) C4'-P energy: -57.473 bonds (distance) P-C4' energy: -60.200 flat angles C4'-P-C4' energy: -74.536 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -94.305 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: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1103.667380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.667380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.667380 (E_RNA) where: Base-Base interactions energy: -781.191 where: short stacking energy: -342.019 Base-Backbone interact. energy: -0.247 local terms energy: -322.228725 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -49.459 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -46.744 tors. eta vs tors. theta energy: -95.940 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: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1092.594805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.594805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.594805 (E_RNA) where: Base-Base interactions energy: -761.301 where: short stacking energy: -334.178 Base-Backbone interact. energy: 0.607 local terms energy: -331.900677 where: bonds (distance) C4'-P energy: -63.913 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -68.311 flat angles P-C4'-P energy: -49.174 tors. eta vs tors. theta energy: -84.365 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: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1008.442266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.442266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.442266 (E_RNA) where: Base-Base interactions energy: -699.244 where: short stacking energy: -328.591 Base-Backbone interact. energy: 0.796 local terms energy: -309.994152 where: bonds (distance) C4'-P energy: -55.909 bonds (distance) P-C4' energy: -57.140 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -44.397 tors. eta vs tors. theta energy: -82.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -937.567655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.567655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.567655 (E_RNA) where: Base-Base interactions energy: -669.937 where: short stacking energy: -284.846 Base-Backbone interact. energy: 2.188 local terms energy: -269.818990 where: bonds (distance) C4'-P energy: -48.895 bonds (distance) P-C4' energy: -46.383 flat angles C4'-P-C4' energy: -66.018 flat angles P-C4'-P energy: -40.304 tors. eta vs tors. theta energy: -68.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -852.874469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.874469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.874469 (E_RNA) where: Base-Base interactions energy: -591.704 where: short stacking energy: -238.163 Base-Backbone interact. energy: 2.110 local terms energy: -263.279879 where: bonds (distance) C4'-P energy: -47.956 bonds (distance) P-C4' energy: -56.233 flat angles C4'-P-C4' energy: -64.101 flat angles P-C4'-P energy: -35.851 tors. eta vs tors. theta energy: -59.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -766.316135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.316135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.316135 (E_RNA) where: Base-Base interactions energy: -510.048 where: short stacking energy: -251.361 Base-Backbone interact. energy: -0.707 local terms energy: -255.561115 where: bonds (distance) C4'-P energy: -47.548 bonds (distance) P-C4' energy: -52.402 flat angles C4'-P-C4' energy: -56.417 flat angles P-C4'-P energy: -36.052 tors. eta vs tors. theta energy: -63.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -729.683970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.683970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.683970 (E_RNA) where: Base-Base interactions energy: -475.426 where: short stacking energy: -212.679 Base-Backbone interact. energy: -1.180 local terms energy: -253.077546 where: bonds (distance) C4'-P energy: -49.932 bonds (distance) P-C4' energy: -58.356 flat angles C4'-P-C4' energy: -57.485 flat angles P-C4'-P energy: -36.635 tors. eta vs tors. theta energy: -50.670 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: 388 Temperature: 1.350000 Total energy: -639.364819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.364819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.364819 (E_RNA) where: Base-Base interactions energy: -417.561 where: short stacking energy: -180.256 Base-Backbone interact. energy: 0.438 local terms energy: -222.241965 where: bonds (distance) C4'-P energy: -41.696 bonds (distance) P-C4' energy: -52.117 flat angles C4'-P-C4' energy: -60.859 flat angles P-C4'-P energy: -33.605 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: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1160.149681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.149681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.149681 (E_RNA) where: Base-Base interactions energy: -796.233 where: short stacking energy: -350.037 Base-Backbone interact. energy: -2.156 local terms energy: -361.761393 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -71.778 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -95.577 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: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1126.480173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.480173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.480173 (E_RNA) where: Base-Base interactions energy: -786.226 where: short stacking energy: -346.698 Base-Backbone interact. energy: -0.601 local terms energy: -339.653382 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: -103.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1113.612926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.612926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.612926 (E_RNA) where: Base-Base interactions energy: -787.918 where: short stacking energy: -350.950 Base-Backbone interact. energy: 1.129 local terms energy: -326.823966 where: bonds (distance) C4'-P energy: -63.043 bonds (distance) P-C4' energy: -52.357 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: -101.029 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: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1076.901834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.901834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.901834 (E_RNA) where: Base-Base interactions energy: -760.391 where: short stacking energy: -353.717 Base-Backbone interact. energy: -0.761 local terms energy: -315.750400 where: bonds (distance) C4'-P energy: -45.725 bonds (distance) P-C4' energy: -55.017 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -102.052 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: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -994.161878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.161878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.161878 (E_RNA) where: Base-Base interactions energy: -679.085 where: short stacking energy: -311.005 Base-Backbone interact. energy: -0.439 local terms energy: -314.637514 where: bonds (distance) C4'-P energy: -50.483 bonds (distance) P-C4' energy: -65.592 flat angles C4'-P-C4' energy: -64.616 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: -82.929 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: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -963.891423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.891423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.891423 (E_RNA) where: Base-Base interactions energy: -669.022 where: short stacking energy: -292.628 Base-Backbone interact. energy: -0.153 local terms energy: -294.716282 where: bonds (distance) C4'-P energy: -46.565 bonds (distance) P-C4' energy: -57.605 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -79.711 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: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -882.298391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.298391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.298391 (E_RNA) where: Base-Base interactions energy: -605.363 where: short stacking energy: -262.853 Base-Backbone interact. energy: -0.627 local terms energy: -276.307915 where: bonds (distance) C4'-P energy: -62.073 bonds (distance) P-C4' energy: -48.409 flat angles C4'-P-C4' energy: -59.271 flat angles P-C4'-P energy: -42.562 tors. eta vs tors. theta energy: -63.994 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: 389 Temperature: 1.250000 Total energy: -729.914773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.914773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.914773 (E_RNA) where: Base-Base interactions energy: -485.757 where: short stacking energy: -222.214 Base-Backbone interact. energy: 4.958 local terms energy: -249.115853 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -49.651 flat angles C4'-P-C4' energy: -63.626 flat angles P-C4'-P energy: -33.604 tors. eta vs tors. theta energy: -44.265 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: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -773.418720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.418720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.418720 (E_RNA) where: Base-Base interactions energy: -536.740 where: short stacking energy: -240.651 Base-Backbone interact. energy: 0.277 local terms energy: -236.955806 where: bonds (distance) C4'-P energy: -51.226 bonds (distance) P-C4' energy: -46.526 flat angles C4'-P-C4' energy: -52.767 flat angles P-C4'-P energy: -36.294 tors. eta vs tors. theta energy: -50.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -593.958033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.958033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.958033 (E_RNA) where: Base-Base interactions energy: -366.903 where: short stacking energy: -165.081 Base-Backbone interact. energy: -1.563 local terms energy: -225.492536 where: bonds (distance) C4'-P energy: -55.149 bonds (distance) P-C4' energy: -53.589 flat angles C4'-P-C4' energy: -58.677 flat angles P-C4'-P energy: -30.686 tors. eta vs tors. theta energy: -27.392 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: 390 Temperature: 0.900000 Total energy: -1151.903725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.903725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.903725 (E_RNA) where: Base-Base interactions energy: -794.190 where: short stacking energy: -335.111 Base-Backbone interact. energy: -0.724 local terms energy: -356.989128 where: bonds (distance) C4'-P energy: -64.149 bonds (distance) P-C4' energy: -67.507 flat angles C4'-P-C4' energy: -70.581 flat angles P-C4'-P energy: -55.773 tors. eta vs tors. theta energy: -98.979 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: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1116.760657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.760657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.760657 (E_RNA) where: Base-Base interactions energy: -780.648 where: short stacking energy: -352.096 Base-Backbone interact. energy: 2.412 local terms energy: -338.524722 where: bonds (distance) C4'-P energy: -60.165 bonds (distance) P-C4' energy: -62.685 flat angles C4'-P-C4' energy: -70.214 flat angles P-C4'-P energy: -51.767 tors. eta vs tors. theta energy: -93.694 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: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1115.527034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.527034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.527034 (E_RNA) where: Base-Base interactions energy: -784.167 where: short stacking energy: -326.918 Base-Backbone interact. energy: 0.107 local terms energy: -331.467025 where: bonds (distance) C4'-P energy: -48.918 bonds (distance) P-C4' energy: -66.289 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -98.164 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: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1040.942520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.942520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.942520 (E_RNA) where: Base-Base interactions energy: -707.549 where: short stacking energy: -330.509 Base-Backbone interact. energy: -1.958 local terms energy: -331.434952 where: bonds (distance) C4'-P energy: -58.646 bonds (distance) P-C4' energy: -64.567 flat angles C4'-P-C4' energy: -64.177 flat angles P-C4'-P energy: -44.750 tors. eta vs tors. theta energy: -99.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -999.157154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.157154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.157154 (E_RNA) where: Base-Base interactions energy: -691.195 where: short stacking energy: -310.374 Base-Backbone interact. energy: 0.397 local terms energy: -308.359090 where: bonds (distance) C4'-P energy: -48.178 bonds (distance) P-C4' energy: -59.590 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -50.043 tors. eta vs tors. theta energy: -86.189 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: 390 Temperature: 1.150000 Total energy: -930.632928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.632928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.632928 (E_RNA) where: Base-Base interactions energy: -631.488 where: short stacking energy: -263.681 Base-Backbone interact. energy: 0.212 local terms energy: -299.356678 where: bonds (distance) C4'-P energy: -62.746 bonds (distance) P-C4' energy: -62.253 flat angles C4'-P-C4' energy: -61.221 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -68.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -876.241606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.241606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.241606 (E_RNA) where: Base-Base interactions energy: -611.229 where: short stacking energy: -264.068 Base-Backbone interact. energy: -2.119 local terms energy: -262.893564 where: bonds (distance) C4'-P energy: -50.318 bonds (distance) P-C4' energy: -60.660 flat angles C4'-P-C4' energy: -63.761 flat angles P-C4'-P energy: -31.953 tors. eta vs tors. theta energy: -56.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -700.452715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.452715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.452715 (E_RNA) where: Base-Base interactions energy: -481.654 where: short stacking energy: -218.435 Base-Backbone interact. energy: 0.265 local terms energy: -219.064471 where: bonds (distance) C4'-P energy: -36.368 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -63.032 flat angles P-C4'-P energy: -24.849 tors. eta vs tors. theta energy: -41.523 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: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -770.421244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.421244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.421244 (E_RNA) where: Base-Base interactions energy: -508.914 where: short stacking energy: -232.284 Base-Backbone interact. energy: -0.202 local terms energy: -261.305796 where: bonds (distance) C4'-P energy: -50.971 bonds (distance) P-C4' energy: -62.876 flat angles C4'-P-C4' energy: -51.016 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -55.448 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: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -640.324920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.324920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.324920 (E_RNA) where: Base-Base interactions energy: -429.964 where: short stacking energy: -188.088 Base-Backbone interact. energy: -0.506 local terms energy: -209.854854 where: bonds (distance) C4'-P energy: -48.422 bonds (distance) P-C4' energy: -48.224 flat angles C4'-P-C4' energy: -56.149 flat angles P-C4'-P energy: -22.437 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: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1146.578224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.578224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.578224 (E_RNA) where: Base-Base interactions energy: -800.974 where: short stacking energy: -349.859 Base-Backbone interact. energy: 0.545 local terms energy: -346.149024 where: bonds (distance) C4'-P energy: -61.950 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -93.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1134.620935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.620935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.620935 (E_RNA) where: Base-Base interactions energy: -797.436 where: short stacking energy: -349.019 Base-Backbone interact. energy: 1.137 local terms energy: -338.322637 where: bonds (distance) C4'-P energy: -65.749 bonds (distance) P-C4' energy: -63.150 flat angles C4'-P-C4' energy: -70.841 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: -99.849 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: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1069.307881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.307881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.307881 (E_RNA) where: Base-Base interactions energy: -731.806 where: short stacking energy: -345.796 Base-Backbone interact. energy: -0.006 local terms energy: -337.496377 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -65.056 flat angles C4'-P-C4' energy: -68.168 flat angles P-C4'-P energy: -45.476 tors. eta vs tors. theta energy: -102.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1046.402836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.402836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.402836 (E_RNA) where: Base-Base interactions energy: -727.405 where: short stacking energy: -315.610 Base-Backbone interact. energy: -1.400 local terms energy: -317.597818 where: bonds (distance) C4'-P energy: -52.883 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -59.451 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -81.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1025.559006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.559006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.559006 (E_RNA) where: Base-Base interactions energy: -712.626 where: short stacking energy: -308.771 Base-Backbone interact. energy: -0.888 local terms energy: -312.044799 where: bonds (distance) C4'-P energy: -59.085 bonds (distance) P-C4' energy: -61.439 flat angles C4'-P-C4' energy: -68.076 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -78.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -885.170255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.170255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.170255 (E_RNA) where: Base-Base interactions energy: -619.110 where: short stacking energy: -263.952 Base-Backbone interact. energy: -0.761 local terms energy: -265.298897 where: bonds (distance) C4'-P energy: -49.681 bonds (distance) P-C4' energy: -50.599 flat angles C4'-P-C4' energy: -54.283 flat angles P-C4'-P energy: -41.066 tors. eta vs tors. theta energy: -69.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -926.603104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.603104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.603104 (E_RNA) where: Base-Base interactions energy: -645.436 where: short stacking energy: -263.069 Base-Backbone interact. energy: -1.121 local terms energy: -280.046266 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -56.660 flat angles C4'-P-C4' energy: -65.410 flat angles P-C4'-P energy: -38.541 tors. eta vs tors. theta energy: -67.564 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: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -804.499930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.499930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.499930 (E_RNA) where: Base-Base interactions energy: -537.629 where: short stacking energy: -233.563 Base-Backbone interact. energy: -0.093 local terms energy: -266.777386 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -53.020 flat angles C4'-P-C4' energy: -59.626 flat angles P-C4'-P energy: -37.899 tors. eta vs tors. theta energy: -59.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -680.061338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.061338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.061338 (E_RNA) where: Base-Base interactions energy: -436.188 where: short stacking energy: -194.455 Base-Backbone interact. energy: 0.261 local terms energy: -244.134385 where: bonds (distance) C4'-P energy: -44.682 bonds (distance) P-C4' energy: -56.263 flat angles C4'-P-C4' energy: -56.728 flat angles P-C4'-P energy: -38.624 tors. eta vs tors. theta energy: -47.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -644.732947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.732947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.732947 (E_RNA) where: Base-Base interactions energy: -425.584 where: short stacking energy: -173.234 Base-Backbone interact. energy: -0.674 local terms energy: -218.474514 where: bonds (distance) C4'-P energy: -52.163 bonds (distance) P-C4' energy: -53.070 flat angles C4'-P-C4' energy: -53.538 flat angles P-C4'-P energy: -20.293 tors. eta vs tors. theta energy: -39.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1158.210057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.210057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.210057 (E_RNA) where: Base-Base interactions energy: -797.523 where: short stacking energy: -359.144 Base-Backbone interact. energy: -0.378 local terms energy: -360.308292 where: bonds (distance) C4'-P energy: -74.435 bonds (distance) P-C4' energy: -68.319 flat angles C4'-P-C4' energy: -75.020 flat angles P-C4'-P energy: -46.847 tors. eta vs tors. theta energy: -95.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1135.645151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.645151 (E_RNA) where: Base-Base interactions energy: -793.039 where: short stacking energy: -342.044 Base-Backbone interact. energy: 0.347 local terms energy: -342.953577 where: bonds (distance) C4'-P energy: -61.287 bonds (distance) P-C4' energy: -62.808 flat angles C4'-P-C4' energy: -75.374 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: -90.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1065.600830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.600830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.600830 (E_RNA) where: Base-Base interactions energy: -744.572 where: short stacking energy: -325.243 Base-Backbone interact. energy: -1.042 local terms energy: -319.986774 where: bonds (distance) C4'-P energy: -58.446 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -71.992 flat angles P-C4'-P energy: -39.300 tors. eta vs tors. theta energy: -86.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1046.105984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.105984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.105984 (E_RNA) where: Base-Base interactions energy: -704.765 where: short stacking energy: -328.961 Base-Backbone interact. energy: -0.911 local terms energy: -340.430592 where: bonds (distance) C4'-P energy: -61.067 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -76.817 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -86.189 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: 392 Temperature: 1.100000 Total energy: -963.749944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.749944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.749944 (E_RNA) where: Base-Base interactions energy: -660.926 where: short stacking energy: -298.309 Base-Backbone interact. energy: 0.614 local terms energy: -303.437792 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -55.660 flat angles C4'-P-C4' energy: -60.512 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: -75.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -918.824224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.824224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.824224 (E_RNA) where: Base-Base interactions energy: -656.174 where: short stacking energy: -277.319 Base-Backbone interact. energy: -0.180 local terms energy: -262.470537 where: bonds (distance) C4'-P energy: -43.777 bonds (distance) P-C4' energy: -54.934 flat angles C4'-P-C4' energy: -60.164 flat angles P-C4'-P energy: -30.819 tors. eta vs tors. theta energy: -72.776 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -913.884674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.884674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.884674 (E_RNA) where: Base-Base interactions energy: -650.226 where: short stacking energy: -289.043 Base-Backbone interact. energy: 1.092 local terms energy: -264.750506 where: bonds (distance) C4'-P energy: -50.238 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -57.728 flat angles P-C4'-P energy: -29.886 tors. eta vs tors. theta energy: -73.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -787.915087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.915087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.915087 (E_RNA) where: Base-Base interactions energy: -551.737 where: short stacking energy: -239.866 Base-Backbone interact. energy: -0.806 local terms energy: -235.372041 where: bonds (distance) C4'-P energy: -41.300 bonds (distance) P-C4' energy: -52.378 flat angles C4'-P-C4' energy: -59.094 flat angles P-C4'-P energy: -27.776 tors. eta vs tors. theta energy: -54.826 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: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -661.591096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.591096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.591096 (E_RNA) where: Base-Base interactions energy: -433.689 where: short stacking energy: -198.394 Base-Backbone interact. energy: 5.844 local terms energy: -233.746316 where: bonds (distance) C4'-P energy: -53.479 bonds (distance) P-C4' energy: -52.461 flat angles C4'-P-C4' energy: -54.024 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -44.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -673.229612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.229612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.229612 (E_RNA) where: Base-Base interactions energy: -429.570 where: short stacking energy: -185.649 Base-Backbone interact. energy: -1.130 local terms energy: -242.529588 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -47.741 flat angles C4'-P-C4' energy: -57.305 flat angles P-C4'-P energy: -43.853 tors. eta vs tors. theta energy: -30.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1168.264530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.264530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.264530 (E_RNA) where: Base-Base interactions energy: -814.493 where: short stacking energy: -361.880 Base-Backbone interact. energy: 0.511 local terms energy: -354.282165 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -46.316 tors. eta vs tors. theta energy: -100.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1120.073493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.073493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.073493 (E_RNA) where: Base-Base interactions energy: -781.225 where: short stacking energy: -335.620 Base-Backbone interact. energy: -0.320 local terms energy: -338.528845 where: bonds (distance) C4'-P energy: -53.141 bonds (distance) P-C4' energy: -63.652 flat angles C4'-P-C4' energy: -71.030 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -96.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1060.849484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.849484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.849484 (E_RNA) where: Base-Base interactions energy: -739.190 where: short stacking energy: -348.992 Base-Backbone interact. energy: -2.293 local terms energy: -319.366066 where: bonds (distance) C4'-P energy: -54.643 bonds (distance) P-C4' energy: -62.366 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -43.248 tors. eta vs tors. theta energy: -91.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1053.072237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.072237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.072237 (E_RNA) where: Base-Base interactions energy: -725.068 where: short stacking energy: -331.510 Base-Backbone interact. energy: -1.024 local terms energy: -326.980013 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -60.644 flat angles C4'-P-C4' energy: -70.303 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -92.772 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: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -958.971739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.971739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.971739 (E_RNA) where: Base-Base interactions energy: -655.186 where: short stacking energy: -282.025 Base-Backbone interact. energy: -0.794 local terms energy: -302.991405 where: bonds (distance) C4'-P energy: -61.612 bonds (distance) P-C4' energy: -57.345 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -33.331 tors. eta vs tors. theta energy: -82.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -918.698597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.698597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.698597 (E_RNA) where: Base-Base interactions energy: -628.780 where: short stacking energy: -274.757 Base-Backbone interact. energy: -1.531 local terms energy: -288.387137 where: bonds (distance) C4'-P energy: -66.262 bonds (distance) P-C4' energy: -57.514 flat angles C4'-P-C4' energy: -61.609 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: -63.833 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: 393 Temperature: 1.200000 Total energy: -894.898519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.898519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.898519 (E_RNA) where: Base-Base interactions energy: -617.466 where: short stacking energy: -268.346 Base-Backbone interact. energy: 1.201 local terms energy: -278.632846 where: bonds (distance) C4'-P energy: -50.308 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -31.281 tors. eta vs tors. theta energy: -70.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -738.708988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.708988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.708988 (E_RNA) where: Base-Base interactions energy: -486.811 where: short stacking energy: -217.551 Base-Backbone interact. energy: -0.972 local terms energy: -250.925624 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -54.827 flat angles C4'-P-C4' energy: -58.469 flat angles P-C4'-P energy: -38.779 tors. eta vs tors. theta energy: -46.637 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: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -695.295347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.295347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.295347 (E_RNA) where: Base-Base interactions energy: -458.781 where: short stacking energy: -202.369 Base-Backbone interact. energy: -0.857 local terms energy: -235.657239 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -51.538 flat angles C4'-P-C4' energy: -54.639 flat angles P-C4'-P energy: -30.210 tors. eta vs tors. theta energy: -40.172 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: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -536.831274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.831274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.831274 (E_RNA) where: Base-Base interactions energy: -345.686 where: short stacking energy: -159.998 Base-Backbone interact. energy: 0.922 local terms energy: -192.067175 where: bonds (distance) C4'-P energy: -47.765 bonds (distance) P-C4' energy: -52.669 flat angles C4'-P-C4' energy: -45.251 flat angles P-C4'-P energy: -33.217 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1169.949096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.949096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.949096 (E_RNA) where: Base-Base interactions energy: -815.644 where: short stacking energy: -352.682 Base-Backbone interact. energy: -1.015 local terms energy: -353.289846 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -73.972 flat angles C4'-P-C4' energy: -72.075 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -99.956 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1124.043273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.043273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.043273 (E_RNA) where: Base-Base interactions energy: -786.519 where: short stacking energy: -340.466 Base-Backbone interact. energy: -1.214 local terms energy: -336.310230 where: bonds (distance) C4'-P energy: -58.586 bonds (distance) P-C4' energy: -67.699 flat angles C4'-P-C4' energy: -69.720 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -96.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1059.162161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.162161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.162161 (E_RNA) where: Base-Base interactions energy: -732.464 where: short stacking energy: -353.210 Base-Backbone interact. energy: -0.798 local terms energy: -325.900416 where: bonds (distance) C4'-P energy: -47.271 bonds (distance) P-C4' energy: -65.017 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -99.567 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: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1051.604957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.604957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.604957 (E_RNA) where: Base-Base interactions energy: -711.306 where: short stacking energy: -312.599 Base-Backbone interact. energy: -0.790 local terms energy: -339.509369 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -73.768 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -93.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -954.391420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.391420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.391420 (E_RNA) where: Base-Base interactions energy: -639.423 where: short stacking energy: -284.460 Base-Backbone interact. energy: -3.297 local terms energy: -311.671005 where: bonds (distance) C4'-P energy: -59.169 bonds (distance) P-C4' energy: -62.982 flat angles C4'-P-C4' energy: -68.916 flat angles P-C4'-P energy: -42.048 tors. eta vs tors. theta energy: -78.555 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: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -972.056997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.056997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.056997 (E_RNA) where: Base-Base interactions energy: -676.386 where: short stacking energy: -305.043 Base-Backbone interact. energy: 0.104 local terms energy: -295.775186 where: bonds (distance) C4'-P energy: -58.489 bonds (distance) P-C4' energy: -47.742 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -39.665 tors. eta vs tors. theta energy: -83.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -861.759980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.759980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.759980 (E_RNA) where: Base-Base interactions energy: -606.352 where: short stacking energy: -262.229 Base-Backbone interact. energy: 0.085 local terms energy: -255.492721 where: bonds (distance) C4'-P energy: -44.579 bonds (distance) P-C4' energy: -44.587 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -39.622 tors. eta vs tors. theta energy: -64.735 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: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -737.397386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.397386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.397386 (E_RNA) where: Base-Base interactions energy: -506.808 where: short stacking energy: -221.729 Base-Backbone interact. energy: 2.620 local terms energy: -233.209270 where: bonds (distance) C4'-P energy: -49.462 bonds (distance) P-C4' energy: -55.108 flat angles C4'-P-C4' energy: -41.997 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -46.283 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: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -706.033406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.033406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.033406 (E_RNA) where: Base-Base interactions energy: -459.423 where: short stacking energy: -193.640 Base-Backbone interact. energy: -0.114 local terms energy: -246.497207 where: bonds (distance) C4'-P energy: -53.148 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -52.593 flat angles P-C4'-P energy: -31.890 tors. eta vs tors. theta energy: -40.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -611.281950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.281950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.281950 (E_RNA) where: Base-Base interactions energy: -401.306 where: short stacking energy: -182.078 Base-Backbone interact. energy: -0.977 local terms energy: -208.999472 where: bonds (distance) C4'-P energy: -40.507 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -53.903 flat angles P-C4'-P energy: -20.233 tors. eta vs tors. theta energy: -34.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1151.398518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.398518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.398518 (E_RNA) where: Base-Base interactions energy: -815.364 where: short stacking energy: -343.117 Base-Backbone interact. energy: -0.023 local terms energy: -336.011861 where: bonds (distance) C4'-P energy: -63.845 bonds (distance) P-C4' energy: -61.481 flat angles C4'-P-C4' energy: -69.419 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -99.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1117.694355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.694355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.694355 (E_RNA) where: Base-Base interactions energy: -782.959 where: short stacking energy: -339.451 Base-Backbone interact. energy: -1.293 local terms energy: -333.442488 where: bonds (distance) C4'-P energy: -56.689 bonds (distance) P-C4' energy: -68.543 flat angles C4'-P-C4' energy: -75.821 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -90.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1063.730369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.730369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.730369 (E_RNA) where: Base-Base interactions energy: -735.386 where: short stacking energy: -320.253 Base-Backbone interact. energy: -0.299 local terms energy: -328.045444 where: bonds (distance) C4'-P energy: -58.454 bonds (distance) P-C4' energy: -60.128 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -50.326 tors. eta vs tors. theta energy: -90.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1062.556907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.556907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.556907 (E_RNA) where: Base-Base interactions energy: -710.867 where: short stacking energy: -318.255 Base-Backbone interact. energy: -2.088 local terms energy: -349.600982 where: bonds (distance) C4'-P energy: -60.353 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -72.600 flat angles P-C4'-P energy: -54.615 tors. eta vs tors. theta energy: -95.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -943.221699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.221699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.221699 (E_RNA) where: Base-Base interactions energy: -662.736 where: short stacking energy: -286.279 Base-Backbone interact. energy: -1.083 local terms energy: -279.403257 where: bonds (distance) C4'-P energy: -50.787 bonds (distance) P-C4' energy: -53.934 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -32.709 tors. eta vs tors. theta energy: -75.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -928.117236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.117236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.117236 (E_RNA) where: Base-Base interactions energy: -635.224 where: short stacking energy: -273.740 Base-Backbone interact. energy: -1.292 local terms energy: -291.601286 where: bonds (distance) C4'-P energy: -52.168 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -66.439 flat angles P-C4'-P energy: -42.962 tors. eta vs tors. theta energy: -72.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -931.327336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.327336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.327336 (E_RNA) where: Base-Base interactions energy: -641.833 where: short stacking energy: -277.358 Base-Backbone interact. energy: -0.598 local terms energy: -288.895728 where: bonds (distance) C4'-P energy: -45.001 bonds (distance) P-C4' energy: -57.914 flat angles C4'-P-C4' energy: -69.254 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -73.220 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: 395 Temperature: 1.250000 Total energy: -710.641874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.641874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.641874 (E_RNA) where: Base-Base interactions energy: -462.899 where: short stacking energy: -208.624 Base-Backbone interact. energy: -0.815 local terms energy: -246.927961 where: bonds (distance) C4'-P energy: -61.792 bonds (distance) P-C4' energy: -55.190 flat angles C4'-P-C4' energy: -55.638 flat angles P-C4'-P energy: -32.052 tors. eta vs tors. theta energy: -42.257 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: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -734.514676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.514676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.514676 (E_RNA) where: Base-Base interactions energy: -476.797 where: short stacking energy: -206.103 Base-Backbone interact. energy: -0.824 local terms energy: -256.893139 where: bonds (distance) C4'-P energy: -54.108 bonds (distance) P-C4' energy: -65.580 flat angles C4'-P-C4' energy: -54.542 flat angles P-C4'-P energy: -32.071 tors. eta vs tors. theta energy: -50.592 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: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -662.229162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.229162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.229162 (E_RNA) where: Base-Base interactions energy: -440.089 where: short stacking energy: -196.182 Base-Backbone interact. energy: -0.464 local terms energy: -221.676087 where: bonds (distance) C4'-P energy: -45.787 bonds (distance) P-C4' energy: -53.005 flat angles C4'-P-C4' energy: -48.692 flat angles P-C4'-P energy: -32.891 tors. eta vs tors. theta energy: -41.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1164.572589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.572589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.572589 (E_RNA) where: Base-Base interactions energy: -812.272 where: short stacking energy: -353.824 Base-Backbone interact. energy: -1.690 local terms energy: -350.610330 where: bonds (distance) C4'-P energy: -64.714 bonds (distance) P-C4' energy: -65.251 flat angles C4'-P-C4' energy: -73.265 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -96.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1120.665098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.665098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.665098 (E_RNA) where: Base-Base interactions energy: -784.658 where: short stacking energy: -341.051 Base-Backbone interact. energy: 0.253 local terms energy: -336.260372 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -71.312 flat angles C4'-P-C4' energy: -68.962 flat angles P-C4'-P energy: -45.246 tors. eta vs tors. theta energy: -91.027 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: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1090.883181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.883181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.883181 (E_RNA) where: Base-Base interactions energy: -761.126 where: short stacking energy: -337.284 Base-Backbone interact. energy: -0.680 local terms energy: -329.076651 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -61.872 flat angles C4'-P-C4' energy: -73.273 flat angles P-C4'-P energy: -36.802 tors. eta vs tors. theta energy: -98.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1040.947056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.947056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.947056 (E_RNA) where: Base-Base interactions energy: -719.660 where: short stacking energy: -312.781 Base-Backbone interact. energy: -0.170 local terms energy: -321.116890 where: bonds (distance) C4'-P energy: -59.278 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -57.650 flat angles P-C4'-P energy: -45.139 tors. eta vs tors. theta energy: -91.343 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: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -964.395822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.395822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.395822 (E_RNA) where: Base-Base interactions energy: -653.013 where: short stacking energy: -292.796 Base-Backbone interact. energy: -0.375 local terms energy: -311.007867 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -65.776 flat angles C4'-P-C4' energy: -60.014 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -78.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -938.830598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.830598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.830598 (E_RNA) where: Base-Base interactions energy: -647.787 where: short stacking energy: -264.323 Base-Backbone interact. energy: 0.043 local terms energy: -291.086200 where: bonds (distance) C4'-P energy: -65.516 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -65.021 flat angles P-C4'-P energy: -26.877 tors. eta vs tors. theta energy: -76.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -904.150880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.150880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.150880 (E_RNA) where: Base-Base interactions energy: -630.246 where: short stacking energy: -268.530 Base-Backbone interact. energy: -1.351 local terms energy: -272.553901 where: bonds (distance) C4'-P energy: -50.807 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -57.482 flat angles P-C4'-P energy: -38.320 tors. eta vs tors. theta energy: -63.662 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: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -748.154271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.154271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.154271 (E_RNA) where: Base-Base interactions energy: -507.654 where: short stacking energy: -246.534 Base-Backbone interact. energy: -0.553 local terms energy: -239.947706 where: bonds (distance) C4'-P energy: -46.918 bonds (distance) P-C4' energy: -47.915 flat angles C4'-P-C4' energy: -51.618 flat angles P-C4'-P energy: -43.344 tors. eta vs tors. theta energy: -50.152 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: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -618.595572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.595572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.595572 (E_RNA) where: Base-Base interactions energy: -398.119 where: short stacking energy: -171.685 Base-Backbone interact. energy: 2.197 local terms energy: -222.673883 where: bonds (distance) C4'-P energy: -54.449 bonds (distance) P-C4' energy: -58.453 flat angles C4'-P-C4' energy: -47.669 flat angles P-C4'-P energy: -34.486 tors. eta vs tors. theta energy: -27.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -641.008365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.008365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.008365 (E_RNA) where: Base-Base interactions energy: -442.534 where: short stacking energy: -205.220 Base-Backbone interact. energy: 4.072 local terms energy: -202.546694 where: bonds (distance) C4'-P energy: -45.092 bonds (distance) P-C4' energy: -44.791 flat angles C4'-P-C4' energy: -51.778 flat angles P-C4'-P energy: -33.191 tors. eta vs tors. theta energy: -27.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1172.252850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.252850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.252850 (E_RNA) where: Base-Base interactions energy: -809.810 where: short stacking energy: -337.906 Base-Backbone interact. energy: -0.932 local terms energy: -361.510835 where: bonds (distance) C4'-P energy: -72.100 bonds (distance) P-C4' energy: -70.835 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -103.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1111.867701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.867701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.867701 (E_RNA) where: Base-Base interactions energy: -775.021 where: short stacking energy: -344.465 Base-Backbone interact. energy: -0.826 local terms energy: -336.020870 where: bonds (distance) C4'-P energy: -57.690 bonds (distance) P-C4' energy: -69.920 flat angles C4'-P-C4' energy: -70.210 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -100.511 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: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1086.344012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.344012 (E_RNA) where: Base-Base interactions energy: -759.029 where: short stacking energy: -323.330 Base-Backbone interact. energy: -1.006 local terms energy: -326.309388 where: bonds (distance) C4'-P energy: -62.299 bonds (distance) P-C4' energy: -62.628 flat angles C4'-P-C4' energy: -72.026 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -84.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -995.954456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.954456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.954456 (E_RNA) where: Base-Base interactions energy: -684.424 where: short stacking energy: -315.956 Base-Backbone interact. energy: -0.649 local terms energy: -310.881994 where: bonds (distance) C4'-P energy: -55.011 bonds (distance) P-C4' energy: -50.383 flat angles C4'-P-C4' energy: -65.001 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -88.429 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: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -996.786915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.786915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.786915 (E_RNA) where: Base-Base interactions energy: -672.853 where: short stacking energy: -290.353 Base-Backbone interact. energy: -0.980 local terms energy: -322.953938 where: bonds (distance) C4'-P energy: -69.006 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -66.197 flat angles P-C4'-P energy: -42.509 tors. eta vs tors. theta energy: -82.670 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: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -921.030205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.030205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.030205 (E_RNA) where: Base-Base interactions energy: -627.096 where: short stacking energy: -275.198 Base-Backbone interact. energy: -0.786 local terms energy: -293.147650 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -64.718 flat angles C4'-P-C4' energy: -50.533 flat angles P-C4'-P energy: -48.705 tors. eta vs tors. theta energy: -70.856 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: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -946.825076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.825076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.825076 (E_RNA) where: Base-Base interactions energy: -653.554 where: short stacking energy: -295.910 Base-Backbone interact. energy: 0.527 local terms energy: -293.797846 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -52.782 flat angles C4'-P-C4' energy: -63.435 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -74.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -750.508294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.508294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.508294 (E_RNA) where: Base-Base interactions energy: -495.957 where: short stacking energy: -233.209 Base-Backbone interact. energy: -0.537 local terms energy: -254.015032 where: bonds (distance) C4'-P energy: -42.588 bonds (distance) P-C4' energy: -59.062 flat angles C4'-P-C4' energy: -57.814 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: -56.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -583.606500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.606500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.606500 (E_RNA) where: Base-Base interactions energy: -341.650 where: short stacking energy: -152.088 Base-Backbone interact. energy: -1.882 local terms energy: -240.074368 where: bonds (distance) C4'-P energy: -53.116 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -57.508 flat angles P-C4'-P energy: -43.898 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: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -673.869006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.869006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.869006 (E_RNA) where: Base-Base interactions energy: -460.072 where: short stacking energy: -202.090 Base-Backbone interact. energy: -1.011 local terms energy: -212.785908 where: bonds (distance) C4'-P energy: -45.729 bonds (distance) P-C4' energy: -43.887 flat angles C4'-P-C4' energy: -55.297 flat angles P-C4'-P energy: -30.809 tors. eta vs tors. theta energy: -37.064 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: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1134.245993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.245993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.245993 (E_RNA) where: Base-Base interactions energy: -787.194 where: short stacking energy: -347.277 Base-Backbone interact. energy: -0.410 local terms energy: -346.642223 where: bonds (distance) C4'-P energy: -68.142 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -71.681 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -97.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1095.327009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.327009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.327009 (E_RNA) where: Base-Base interactions energy: -759.625 where: short stacking energy: -340.319 Base-Backbone interact. energy: -2.370 local terms energy: -333.332361 where: bonds (distance) C4'-P energy: -65.061 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -38.007 tors. eta vs tors. theta energy: -98.272 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: 398 Temperature: 1.000000 Total energy: -1085.147973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.147973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.147973 (E_RNA) where: Base-Base interactions energy: -750.023 where: short stacking energy: -316.250 Base-Backbone interact. energy: -0.991 local terms energy: -334.134218 where: bonds (distance) C4'-P energy: -69.435 bonds (distance) P-C4' energy: -65.923 flat angles C4'-P-C4' energy: -67.263 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -86.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -997.820127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.820127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.820127 (E_RNA) where: Base-Base interactions energy: -680.700 where: short stacking energy: -310.463 Base-Backbone interact. energy: 0.849 local terms energy: -317.969793 where: bonds (distance) C4'-P energy: -49.756 bonds (distance) P-C4' energy: -61.076 flat angles C4'-P-C4' energy: -64.366 flat angles P-C4'-P energy: -54.361 tors. eta vs tors. theta energy: -88.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1019.358553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.358553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.358553 (E_RNA) where: Base-Base interactions energy: -708.037 where: short stacking energy: -311.741 Base-Backbone interact. energy: -0.650 local terms energy: -310.671734 where: bonds (distance) C4'-P energy: -50.222 bonds (distance) P-C4' energy: -51.949 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -90.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -887.002016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.002016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.002016 (E_RNA) where: Base-Base interactions energy: -612.923 where: short stacking energy: -251.809 Base-Backbone interact. energy: 1.293 local terms energy: -275.372140 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -54.571 flat angles C4'-P-C4' energy: -63.566 flat angles P-C4'-P energy: -34.705 tors. eta vs tors. theta energy: -63.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -886.991435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.991435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.991435 (E_RNA) where: Base-Base interactions energy: -616.652 where: short stacking energy: -264.500 Base-Backbone interact. energy: 0.854 local terms energy: -271.192756 where: bonds (distance) C4'-P energy: -46.460 bonds (distance) P-C4' energy: -53.846 flat angles C4'-P-C4' energy: -61.648 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -67.396 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: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -704.531019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.531019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.531019 (E_RNA) where: Base-Base interactions energy: -466.259 where: short stacking energy: -224.220 Base-Backbone interact. energy: -1.473 local terms energy: -236.798527 where: bonds (distance) C4'-P energy: -48.296 bonds (distance) P-C4' energy: -48.750 flat angles C4'-P-C4' energy: -56.492 flat angles P-C4'-P energy: -32.030 tors. eta vs tors. theta energy: -51.231 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: 398 Temperature: 1.300000 Total energy: -659.576435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.576435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.576435 (E_RNA) where: Base-Base interactions energy: -437.161 where: short stacking energy: -198.803 Base-Backbone interact. energy: -0.167 local terms energy: -222.247710 where: bonds (distance) C4'-P energy: -49.095 bonds (distance) P-C4' energy: -55.551 flat angles C4'-P-C4' energy: -44.671 flat angles P-C4'-P energy: -34.867 tors. eta vs tors. theta energy: -38.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -552.574136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.574136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.574136 (E_RNA) where: Base-Base interactions energy: -339.345 where: short stacking energy: -151.709 Base-Backbone interact. energy: -1.501 local terms energy: -211.727959 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -59.736 flat angles C4'-P-C4' energy: -46.260 flat angles P-C4'-P energy: -30.952 tors. eta vs tors. theta energy: -22.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1145.235990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.235990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.235990 (E_RNA) where: Base-Base interactions energy: -803.554 where: short stacking energy: -354.954 Base-Backbone interact. energy: -2.559 local terms energy: -339.122185 where: bonds (distance) C4'-P energy: -56.600 bonds (distance) P-C4' energy: -60.049 flat angles C4'-P-C4' energy: -76.895 flat angles P-C4'-P energy: -40.352 tors. eta vs tors. theta energy: -105.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1105.037040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.037040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.037040 (E_RNA) where: Base-Base interactions energy: -772.530 where: short stacking energy: -342.503 Base-Backbone interact. energy: -1.857 local terms energy: -330.650379 where: bonds (distance) C4'-P energy: -55.391 bonds (distance) P-C4' energy: -60.119 flat angles C4'-P-C4' energy: -76.039 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -92.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1073.576169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.576169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.576169 (E_RNA) where: Base-Base interactions energy: -745.922 where: short stacking energy: -335.083 Base-Backbone interact. energy: 0.110 local terms energy: -327.764244 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -70.959 flat angles P-C4'-P energy: -46.159 tors. eta vs tors. theta energy: -89.789 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: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1036.323921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.323921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.323921 (E_RNA) where: Base-Base interactions energy: -699.548 where: short stacking energy: -328.575 Base-Backbone interact. energy: -0.215 local terms energy: -336.560213 where: bonds (distance) C4'-P energy: -54.402 bonds (distance) P-C4' energy: -65.429 flat angles C4'-P-C4' energy: -75.240 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -93.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -972.315571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.315571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.315571 (E_RNA) where: Base-Base interactions energy: -686.907 where: short stacking energy: -292.181 Base-Backbone interact. energy: 0.426 local terms energy: -285.835317 where: bonds (distance) C4'-P energy: -57.955 bonds (distance) P-C4' energy: -45.168 flat angles C4'-P-C4' energy: -61.526 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -72.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -928.390360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.390360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.390360 (E_RNA) where: Base-Base interactions energy: -649.279 where: short stacking energy: -286.516 Base-Backbone interact. energy: -1.129 local terms energy: -277.982428 where: bonds (distance) C4'-P energy: -54.325 bonds (distance) P-C4' energy: -67.338 flat angles C4'-P-C4' energy: -58.328 flat angles P-C4'-P energy: -31.802 tors. eta vs tors. theta energy: -66.189 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: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -846.034107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.034107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.034107 (E_RNA) where: Base-Base interactions energy: -604.778 where: short stacking energy: -266.680 Base-Backbone interact. energy: 0.176 local terms energy: -241.431771 where: bonds (distance) C4'-P energy: -48.228 bonds (distance) P-C4' energy: -48.101 flat angles C4'-P-C4' energy: -52.112 flat angles P-C4'-P energy: -35.600 tors. eta vs tors. theta energy: -57.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -730.309871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.309871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.309871 (E_RNA) where: Base-Base interactions energy: -490.415 where: short stacking energy: -219.235 Base-Backbone interact. energy: -0.945 local terms energy: -238.950456 where: bonds (distance) C4'-P energy: -50.076 bonds (distance) P-C4' energy: -49.995 flat angles C4'-P-C4' energy: -57.554 flat angles P-C4'-P energy: -35.045 tors. eta vs tors. theta energy: -46.281 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: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -709.390216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.390216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.390216 (E_RNA) where: Base-Base interactions energy: -480.660 where: short stacking energy: -225.891 Base-Backbone interact. energy: -1.849 local terms energy: -226.881040 where: bonds (distance) C4'-P energy: -46.431 bonds (distance) P-C4' energy: -43.474 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -33.455 tors. eta vs tors. theta energy: -42.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -543.753270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.753270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.753270 (E_RNA) where: Base-Base interactions energy: -337.193 where: short stacking energy: -149.517 Base-Backbone interact. energy: -0.911 local terms energy: -205.648507 where: bonds (distance) C4'-P energy: -47.816 bonds (distance) P-C4' energy: -53.510 flat angles C4'-P-C4' energy: -50.263 flat angles P-C4'-P energy: -38.625 tors. eta vs tors. theta energy: -15.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1155.638088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.638088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.638088 (E_RNA) where: Base-Base interactions energy: -819.717 where: short stacking energy: -358.988 Base-Backbone interact. energy: -1.753 local terms energy: -334.167651 where: bonds (distance) C4'-P energy: -54.171 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -77.645 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -101.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1122.693727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.693727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.693727 (E_RNA) where: Base-Base interactions energy: -802.895 where: short stacking energy: -319.572 Base-Backbone interact. energy: -1.534 local terms energy: -318.264570 where: bonds (distance) C4'-P energy: -59.829 bonds (distance) P-C4' energy: -54.123 flat angles C4'-P-C4' energy: -68.820 flat angles P-C4'-P energy: -47.308 tors. eta vs tors. theta energy: -88.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1092.726392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.726392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.726392 (E_RNA) where: Base-Base interactions energy: -760.267 where: short stacking energy: -354.849 Base-Backbone interact. energy: -0.563 local terms energy: -331.896574 where: bonds (distance) C4'-P energy: -56.881 bonds (distance) P-C4' energy: -58.193 flat angles C4'-P-C4' energy: -76.528 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -99.992 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: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1047.684550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.684550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.684550 (E_RNA) where: Base-Base interactions energy: -727.140 where: short stacking energy: -324.406 Base-Backbone interact. energy: -1.082 local terms energy: -319.462351 where: bonds (distance) C4'-P energy: -61.592 bonds (distance) P-C4' energy: -54.255 flat angles C4'-P-C4' energy: -72.263 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -88.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -967.731705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.731705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.731705 (E_RNA) where: Base-Base interactions energy: -671.474 where: short stacking energy: -284.931 Base-Backbone interact. energy: -1.341 local terms energy: -294.916786 where: bonds (distance) C4'-P energy: -48.719 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -68.876 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -74.200 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: 400 Temperature: 1.150000 Total energy: -921.851944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.851944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.851944 (E_RNA) where: Base-Base interactions energy: -633.657 where: short stacking energy: -288.731 Base-Backbone interact. energy: -0.497 local terms energy: -287.697914 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -50.818 flat angles C4'-P-C4' energy: -58.071 flat angles P-C4'-P energy: -48.431 tors. eta vs tors. theta energy: -78.651 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: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -871.464360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.464360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.464360 (E_RNA) where: Base-Base interactions energy: -603.124 where: short stacking energy: -255.991 Base-Backbone interact. energy: -0.503 local terms energy: -267.837244 where: bonds (distance) C4'-P energy: -42.481 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -64.424 flat angles P-C4'-P energy: -41.940 tors. eta vs tors. theta energy: -62.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -691.236943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.236943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.236943 (E_RNA) where: Base-Base interactions energy: -472.033 where: short stacking energy: -200.474 Base-Backbone interact. energy: -0.394 local terms energy: -218.810403 where: bonds (distance) C4'-P energy: -45.968 bonds (distance) P-C4' energy: -51.553 flat angles C4'-P-C4' energy: -53.152 flat angles P-C4'-P energy: -33.827 tors. eta vs tors. theta energy: -34.310 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: 400 Temperature: 1.300000 Total energy: -700.723442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.723442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.723442 (E_RNA) where: Base-Base interactions energy: -474.567 where: short stacking energy: -207.879 Base-Backbone interact. energy: -0.601 local terms energy: -225.555408 where: bonds (distance) C4'-P energy: -48.151 bonds (distance) P-C4' energy: -51.511 flat angles C4'-P-C4' energy: -41.261 flat angles P-C4'-P energy: -29.712 tors. eta vs tors. theta energy: -54.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -585.612830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.612830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.612830 (E_RNA) where: Base-Base interactions energy: -388.335 where: short stacking energy: -177.548 Base-Backbone interact. energy: -0.611 local terms energy: -196.666487 where: bonds (distance) C4'-P energy: -50.713 bonds (distance) P-C4' energy: -49.318 flat angles C4'-P-C4' energy: -41.707 flat angles P-C4'-P energy: -29.127 tors. eta vs tors. theta energy: -25.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1153.680818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.680818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.680818 (E_RNA) where: Base-Base interactions energy: -816.178 where: short stacking energy: -355.827 Base-Backbone interact. energy: -1.102 local terms energy: -336.401117 where: bonds (distance) C4'-P energy: -59.806 bonds (distance) P-C4' energy: -61.792 flat angles C4'-P-C4' energy: -69.403 flat angles P-C4'-P energy: -44.930 tors. eta vs tors. theta energy: -100.471 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: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1150.692466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.692466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.692466 (E_RNA) where: Base-Base interactions energy: -822.217 where: short stacking energy: -344.049 Base-Backbone interact. energy: -0.778 local terms energy: -327.697102 where: bonds (distance) C4'-P energy: -63.298 bonds (distance) P-C4' energy: -55.039 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -41.498 tors. eta vs tors. theta energy: -96.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1071.582670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.582670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.582670 (E_RNA) where: Base-Base interactions energy: -743.076 where: short stacking energy: -331.579 Base-Backbone interact. energy: 0.335 local terms energy: -328.840965 where: bonds (distance) C4'-P energy: -52.568 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -48.931 tors. eta vs tors. theta energy: -92.145 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: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1031.759362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.759362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.759362 (E_RNA) where: Base-Base interactions energy: -719.071 where: short stacking energy: -329.588 Base-Backbone interact. energy: 0.168 local terms energy: -312.855898 where: bonds (distance) C4'-P energy: -54.983 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: -87.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -946.921191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.921191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.921191 (E_RNA) where: Base-Base interactions energy: -648.981 where: short stacking energy: -287.194 Base-Backbone interact. energy: -0.751 local terms energy: -297.189538 where: bonds (distance) C4'-P energy: -68.991 bonds (distance) P-C4' energy: -59.712 flat angles C4'-P-C4' energy: -57.840 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -67.622 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: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -950.787577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.787577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.787577 (E_RNA) where: Base-Base interactions energy: -656.447 where: short stacking energy: -286.050 Base-Backbone interact. energy: -0.679 local terms energy: -293.661683 where: bonds (distance) C4'-P energy: -48.725 bonds (distance) P-C4' energy: -62.817 flat angles C4'-P-C4' energy: -53.562 flat angles P-C4'-P energy: -46.898 tors. eta vs tors. theta energy: -81.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -856.944709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.944709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.944709 (E_RNA) where: Base-Base interactions energy: -604.601 where: short stacking energy: -252.990 Base-Backbone interact. energy: 4.507 local terms energy: -256.850257 where: bonds (distance) C4'-P energy: -45.788 bonds (distance) P-C4' energy: -58.978 flat angles C4'-P-C4' energy: -52.280 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: -65.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -773.853948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.853948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.853948 (E_RNA) where: Base-Base interactions energy: -524.404 where: short stacking energy: -230.604 Base-Backbone interact. energy: 4.766 local terms energy: -254.215370 where: bonds (distance) C4'-P energy: -38.859 bonds (distance) P-C4' energy: -60.044 flat angles C4'-P-C4' energy: -54.210 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -56.317 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: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -699.218502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.218502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.218502 (E_RNA) where: Base-Base interactions energy: -445.922 where: short stacking energy: -207.976 Base-Backbone interact. energy: -0.669 local terms energy: -252.627235 where: bonds (distance) C4'-P energy: -51.070 bonds (distance) P-C4' energy: -58.203 flat angles C4'-P-C4' energy: -61.576 flat angles P-C4'-P energy: -38.480 tors. eta vs tors. theta energy: -43.298 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: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -592.291495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.291495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.291495 (E_RNA) where: Base-Base interactions energy: -364.533 where: short stacking energy: -160.280 Base-Backbone interact. energy: -1.008 local terms energy: -226.750902 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -59.478 flat angles P-C4'-P energy: -17.739 tors. eta vs tors. theta energy: -27.868 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: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1157.597141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.597141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.597141 (E_RNA) where: Base-Base interactions energy: -814.310 where: short stacking energy: -334.405 Base-Backbone interact. energy: -1.340 local terms energy: -341.947449 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -67.196 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -51.868 tors. eta vs tors. theta energy: -89.235 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: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1149.672662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.672662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.672662 (E_RNA) where: Base-Base interactions energy: -815.430 where: short stacking energy: -357.491 Base-Backbone interact. energy: -1.672 local terms energy: -332.570941 where: bonds (distance) C4'-P energy: -56.113 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -103.047 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: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1062.723021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.723021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.723021 (E_RNA) where: Base-Base interactions energy: -744.382 where: short stacking energy: -346.052 Base-Backbone interact. energy: 0.246 local terms energy: -318.587522 where: bonds (distance) C4'-P energy: -54.579 bonds (distance) P-C4' energy: -51.495 flat angles C4'-P-C4' energy: -66.362 flat angles P-C4'-P energy: -53.388 tors. eta vs tors. theta energy: -92.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1064.984270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.984270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.984270 (E_RNA) where: Base-Base interactions energy: -732.448 where: short stacking energy: -338.592 Base-Backbone interact. energy: 0.019 local terms energy: -332.555251 where: bonds (distance) C4'-P energy: -54.878 bonds (distance) P-C4' energy: -63.853 flat angles C4'-P-C4' energy: -67.382 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -96.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -953.813103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.813103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.813103 (E_RNA) where: Base-Base interactions energy: -664.686 where: short stacking energy: -274.068 Base-Backbone interact. energy: -1.646 local terms energy: -287.481202 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -57.259 flat angles C4'-P-C4' energy: -60.781 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -70.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -912.125747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.125747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.125747 (E_RNA) where: Base-Base interactions energy: -608.370 where: short stacking energy: -286.431 Base-Backbone interact. energy: -0.521 local terms energy: -303.235583 where: bonds (distance) C4'-P energy: -58.105 bonds (distance) P-C4' energy: -65.109 flat angles C4'-P-C4' energy: -57.859 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -78.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -868.838446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.838446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.838446 (E_RNA) where: Base-Base interactions energy: -598.610 where: short stacking energy: -260.925 Base-Backbone interact. energy: -0.916 local terms energy: -269.312595 where: bonds (distance) C4'-P energy: -54.145 bonds (distance) P-C4' energy: -46.518 flat angles C4'-P-C4' energy: -66.102 flat angles P-C4'-P energy: -31.019 tors. eta vs tors. theta energy: -71.528 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: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -762.012184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.012184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.012184 (E_RNA) where: Base-Base interactions energy: -512.494 where: short stacking energy: -222.850 Base-Backbone interact. energy: -1.393 local terms energy: -248.125004 where: bonds (distance) C4'-P energy: -49.846 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -62.102 flat angles P-C4'-P energy: -33.822 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: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -685.734689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.734689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.734689 (E_RNA) where: Base-Base interactions energy: -470.728 where: short stacking energy: -224.237 Base-Backbone interact. energy: 1.233 local terms energy: -216.239267 where: bonds (distance) C4'-P energy: -48.448 bonds (distance) P-C4' energy: -45.593 flat angles C4'-P-C4' energy: -57.456 flat angles P-C4'-P energy: -14.997 tors. eta vs tors. theta energy: -49.745 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: 402 Temperature: 1.350000 Total energy: -617.022544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.022544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.022544 (E_RNA) where: Base-Base interactions energy: -403.027 where: short stacking energy: -192.851 Base-Backbone interact. energy: 0.029 local terms energy: -214.024982 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -49.121 flat angles C4'-P-C4' energy: -43.461 flat angles P-C4'-P energy: -26.912 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: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1161.074653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.074653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.074653 (E_RNA) where: Base-Base interactions energy: -813.689 where: short stacking energy: -343.728 Base-Backbone interact. energy: -1.898 local terms energy: -345.486951 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -92.370 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: 403 Temperature: 0.950000 Total energy: -1141.711896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.711896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.711896 (E_RNA) where: Base-Base interactions energy: -798.129 where: short stacking energy: -341.020 Base-Backbone interact. energy: 0.002 local terms energy: -343.584233 where: bonds (distance) C4'-P energy: -60.164 bonds (distance) P-C4' energy: -69.946 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -97.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1080.101148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.101148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.101148 (E_RNA) where: Base-Base interactions energy: -748.720 where: short stacking energy: -344.077 Base-Backbone interact. energy: -1.410 local terms energy: -329.971437 where: bonds (distance) C4'-P energy: -59.501 bonds (distance) P-C4' energy: -52.901 flat angles C4'-P-C4' energy: -73.718 flat angles P-C4'-P energy: -43.477 tors. eta vs tors. theta energy: -100.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1083.934068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.934068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.934068 (E_RNA) where: Base-Base interactions energy: -735.291 where: short stacking energy: -334.817 Base-Backbone interact. energy: -0.858 local terms energy: -347.784944 where: bonds (distance) C4'-P energy: -64.585 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -74.089 flat angles P-C4'-P energy: -46.078 tors. eta vs tors. theta energy: -100.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -948.475551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.475551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.475551 (E_RNA) where: Base-Base interactions energy: -652.974 where: short stacking energy: -297.204 Base-Backbone interact. energy: -0.661 local terms energy: -294.840297 where: bonds (distance) C4'-P energy: -47.015 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -60.775 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: -81.410 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: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -945.755872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.755872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.755872 (E_RNA) where: Base-Base interactions energy: -648.660 where: short stacking energy: -289.702 Base-Backbone interact. energy: 3.574 local terms energy: -300.669888 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -49.972 flat angles C4'-P-C4' energy: -71.139 flat angles P-C4'-P energy: -37.714 tors. eta vs tors. theta energy: -80.311 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: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -860.073854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.073854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.073854 (E_RNA) where: Base-Base interactions energy: -586.120 where: short stacking energy: -237.523 Base-Backbone interact. energy: 1.741 local terms energy: -275.694895 where: bonds (distance) C4'-P energy: -43.133 bonds (distance) P-C4' energy: -66.366 flat angles C4'-P-C4' energy: -61.091 flat angles P-C4'-P energy: -42.421 tors. eta vs tors. theta energy: -62.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -774.426350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.426350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.426350 (E_RNA) where: Base-Base interactions energy: -507.408 where: short stacking energy: -241.862 Base-Backbone interact. energy: -2.327 local terms energy: -264.691387 where: bonds (distance) C4'-P energy: -50.476 bonds (distance) P-C4' energy: -61.109 flat angles C4'-P-C4' energy: -56.435 flat angles P-C4'-P energy: -31.135 tors. eta vs tors. theta energy: -65.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -694.975752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.975752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.975752 (E_RNA) where: Base-Base interactions energy: -463.289 where: short stacking energy: -208.897 Base-Backbone interact. energy: -1.272 local terms energy: -230.414098 where: bonds (distance) C4'-P energy: -43.045 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -56.006 flat angles P-C4'-P energy: -34.170 tors. eta vs tors. theta energy: -39.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -602.182224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.182224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.182224 (E_RNA) where: Base-Base interactions energy: -373.605 where: short stacking energy: -180.240 Base-Backbone interact. energy: -0.096 local terms energy: -228.481813 where: bonds (distance) C4'-P energy: -55.454 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -45.261 flat angles P-C4'-P energy: -30.400 tors. eta vs tors. theta energy: -36.453 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: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1179.732097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.732097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.732097 (E_RNA) where: Base-Base interactions energy: -824.274 where: short stacking energy: -331.741 Base-Backbone interact. energy: -2.861 local terms energy: -352.597817 where: bonds (distance) C4'-P energy: -64.081 bonds (distance) P-C4' energy: -68.609 flat angles C4'-P-C4' energy: -67.873 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -96.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1146.381987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.381987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.381987 (E_RNA) where: Base-Base interactions energy: -791.779 where: short stacking energy: -351.514 Base-Backbone interact. energy: -0.809 local terms energy: -353.794097 where: bonds (distance) C4'-P energy: -73.592 bonds (distance) P-C4' energy: -60.064 flat angles C4'-P-C4' energy: -69.465 flat angles P-C4'-P energy: -50.118 tors. eta vs tors. theta energy: -100.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1075.117392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.117392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.117392 (E_RNA) where: Base-Base interactions energy: -742.838 where: short stacking energy: -334.388 Base-Backbone interact. energy: -1.000 local terms energy: -331.279644 where: bonds (distance) C4'-P energy: -66.641 bonds (distance) P-C4' energy: -63.283 flat angles C4'-P-C4' energy: -67.422 flat angles P-C4'-P energy: -37.883 tors. eta vs tors. theta energy: -96.052 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: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1025.309096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.309096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.309096 (E_RNA) where: Base-Base interactions energy: -710.952 where: short stacking energy: -318.092 Base-Backbone interact. energy: -0.992 local terms energy: -313.365977 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -59.315 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -87.122 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: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -960.803978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.803978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.803978 (E_RNA) where: Base-Base interactions energy: -653.644 where: short stacking energy: -291.143 Base-Backbone interact. energy: -0.900 local terms energy: -306.259989 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -53.757 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -77.612 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: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -954.987451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.987451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.987451 (E_RNA) where: Base-Base interactions energy: -653.653 where: short stacking energy: -286.036 Base-Backbone interact. energy: 1.609 local terms energy: -302.944010 where: bonds (distance) C4'-P energy: -46.022 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -69.818 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -75.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -896.667017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.667017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.667017 (E_RNA) where: Base-Base interactions energy: -606.783 where: short stacking energy: -261.225 Base-Backbone interact. energy: -2.446 local terms energy: -287.437148 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -58.505 flat angles C4'-P-C4' energy: -64.765 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: -75.315 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: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -752.985790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.985790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.985790 (E_RNA) where: Base-Base interactions energy: -495.481 where: short stacking energy: -224.695 Base-Backbone interact. energy: -0.979 local terms energy: -256.526360 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -57.034 flat angles C4'-P-C4' energy: -64.817 flat angles P-C4'-P energy: -26.416 tors. eta vs tors. theta energy: -48.895 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: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -721.429901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.429901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.429901 (E_RNA) where: Base-Base interactions energy: -469.825 where: short stacking energy: -225.959 Base-Backbone interact. energy: 1.977 local terms energy: -253.582044 where: bonds (distance) C4'-P energy: -43.617 bonds (distance) P-C4' energy: -53.480 flat angles C4'-P-C4' energy: -58.656 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -58.272 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: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -589.149395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.149395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.149395 (E_RNA) where: Base-Base interactions energy: -394.107 where: short stacking energy: -170.330 Base-Backbone interact. energy: -1.057 local terms energy: -193.985564 where: bonds (distance) C4'-P energy: -38.604 bonds (distance) P-C4' energy: -40.468 flat angles C4'-P-C4' energy: -46.201 flat angles P-C4'-P energy: -34.809 tors. eta vs tors. theta energy: -33.904 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: 405 Temperature: 0.900000 Total energy: -1150.980522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.980522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.980522 (E_RNA) where: Base-Base interactions energy: -814.137 where: short stacking energy: -333.372 Base-Backbone interact. energy: -2.447 local terms energy: -334.396985 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -62.800 flat angles C4'-P-C4' energy: -77.321 flat angles P-C4'-P energy: -51.203 tors. eta vs tors. theta energy: -88.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1138.436730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.436730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.436730 (E_RNA) where: Base-Base interactions energy: -788.434 where: short stacking energy: -364.646 Base-Backbone interact. energy: -1.423 local terms energy: -348.580085 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -68.838 flat angles C4'-P-C4' energy: -69.336 flat angles P-C4'-P energy: -49.858 tors. eta vs tors. theta energy: -103.983 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: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1096.527164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.527164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.527164 (E_RNA) where: Base-Base interactions energy: -744.046 where: short stacking energy: -338.060 Base-Backbone interact. energy: -0.647 local terms energy: -351.833652 where: bonds (distance) C4'-P energy: -68.262 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -52.930 tors. eta vs tors. theta energy: -98.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1016.144569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.144569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.144569 (E_RNA) where: Base-Base interactions energy: -708.422 where: short stacking energy: -326.989 Base-Backbone interact. energy: 0.174 local terms energy: -307.897435 where: bonds (distance) C4'-P energy: -49.248 bonds (distance) P-C4' energy: -62.950 flat angles C4'-P-C4' energy: -69.527 flat angles P-C4'-P energy: -37.737 tors. eta vs tors. theta energy: -88.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -972.957790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.957790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.957790 (E_RNA) where: Base-Base interactions energy: -663.169 where: short stacking energy: -302.415 Base-Backbone interact. energy: -0.716 local terms energy: -309.072818 where: bonds (distance) C4'-P energy: -66.263 bonds (distance) P-C4' energy: -58.200 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -44.669 tors. eta vs tors. theta energy: -80.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -903.808005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.808005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.808005 (E_RNA) where: Base-Base interactions energy: -592.361 where: short stacking energy: -271.213 Base-Backbone interact. energy: 2.062 local terms energy: -313.508550 where: bonds (distance) C4'-P energy: -65.406 bonds (distance) P-C4' energy: -61.683 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -70.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -935.206935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.206935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.206935 (E_RNA) where: Base-Base interactions energy: -642.236 where: short stacking energy: -254.647 Base-Backbone interact. energy: -0.782 local terms energy: -292.188550 where: bonds (distance) C4'-P energy: -59.124 bonds (distance) P-C4' energy: -55.728 flat angles C4'-P-C4' energy: -58.303 flat angles P-C4'-P energy: -44.108 tors. eta vs tors. theta energy: -74.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -764.556309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.556309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.556309 (E_RNA) where: Base-Base interactions energy: -488.230 where: short stacking energy: -231.826 Base-Backbone interact. energy: -0.603 local terms energy: -275.723437 where: bonds (distance) C4'-P energy: -65.543 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -57.991 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -51.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -724.052071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.052071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.052071 (E_RNA) where: Base-Base interactions energy: -469.501 where: short stacking energy: -213.220 Base-Backbone interact. energy: 1.594 local terms energy: -256.144439 where: bonds (distance) C4'-P energy: -52.693 bonds (distance) P-C4' energy: -55.894 flat angles C4'-P-C4' energy: -53.174 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -55.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -623.704836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.704836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.704836 (E_RNA) where: Base-Base interactions energy: -402.251 where: short stacking energy: -180.323 Base-Backbone interact. energy: 0.637 local terms energy: -222.090582 where: bonds (distance) C4'-P energy: -42.295 bonds (distance) P-C4' energy: -56.817 flat angles C4'-P-C4' energy: -51.859 flat angles P-C4'-P energy: -40.094 tors. eta vs tors. theta energy: -31.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1145.962524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.962524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.962524 (E_RNA) where: Base-Base interactions energy: -789.762 where: short stacking energy: -354.398 Base-Backbone interact. energy: -0.722 local terms energy: -355.478947 where: bonds (distance) C4'-P energy: -60.478 bonds (distance) P-C4' energy: -68.763 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -101.531 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: 406 Temperature: 0.950000 Total energy: -1132.865200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.865200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.865200 (E_RNA) where: Base-Base interactions energy: -796.364 where: short stacking energy: -339.367 Base-Backbone interact. energy: -0.743 local terms energy: -335.758041 where: bonds (distance) C4'-P energy: -57.619 bonds (distance) P-C4' energy: -72.479 flat angles C4'-P-C4' energy: -64.345 flat angles P-C4'-P energy: -42.704 tors. eta vs tors. theta energy: -98.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1101.326045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.326045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.326045 (E_RNA) where: Base-Base interactions energy: -758.107 where: short stacking energy: -345.849 Base-Backbone interact. energy: -0.912 local terms energy: -342.306802 where: bonds (distance) C4'-P energy: -65.417 bonds (distance) P-C4' energy: -61.950 flat angles C4'-P-C4' energy: -73.374 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -89.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1016.300709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.300709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.300709 (E_RNA) where: Base-Base interactions energy: -700.056 where: short stacking energy: -310.707 Base-Backbone interact. energy: 1.104 local terms energy: -317.348808 where: bonds (distance) C4'-P energy: -60.440 bonds (distance) P-C4' energy: -59.693 flat angles C4'-P-C4' energy: -60.608 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -86.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -945.450933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.450933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.450933 (E_RNA) where: Base-Base interactions energy: -651.574 where: short stacking energy: -275.782 Base-Backbone interact. energy: -0.786 local terms energy: -293.091237 where: bonds (distance) C4'-P energy: -60.349 bonds (distance) P-C4' energy: -46.441 flat angles C4'-P-C4' energy: -63.187 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -80.109 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: 406 Temperature: 1.150000 Total energy: -929.183260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.183260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.183260 (E_RNA) where: Base-Base interactions energy: -627.404 where: short stacking energy: -283.663 Base-Backbone interact. energy: 0.980 local terms energy: -302.759515 where: bonds (distance) C4'-P energy: -50.907 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -69.748 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -72.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -925.972667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.972667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.972667 (E_RNA) where: Base-Base interactions energy: -642.774 where: short stacking energy: -262.100 Base-Backbone interact. energy: -0.147 local terms energy: -283.051365 where: bonds (distance) C4'-P energy: -54.818 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -65.398 flat angles P-C4'-P energy: -40.315 tors. eta vs tors. theta energy: -63.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -725.784849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.784849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.784849 (E_RNA) where: Base-Base interactions energy: -483.319 where: short stacking energy: -224.710 Base-Backbone interact. energy: -1.942 local terms energy: -240.524146 where: bonds (distance) C4'-P energy: -38.976 bonds (distance) P-C4' energy: -54.463 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -36.925 tors. eta vs tors. theta energy: -55.885 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: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -764.655989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.655989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.655989 (E_RNA) where: Base-Base interactions energy: -529.089 where: short stacking energy: -230.076 Base-Backbone interact. energy: 0.146 local terms energy: -235.712869 where: bonds (distance) C4'-P energy: -49.977 bonds (distance) P-C4' energy: -49.276 flat angles C4'-P-C4' energy: -48.352 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -53.094 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: 406 Temperature: 1.350000 Total energy: -606.384672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.384672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.384672 (E_RNA) where: Base-Base interactions energy: -386.586 where: short stacking energy: -175.868 Base-Backbone interact. energy: 0.040 local terms energy: -219.838640 where: bonds (distance) C4'-P energy: -43.139 bonds (distance) P-C4' energy: -54.832 flat angles C4'-P-C4' energy: -55.814 flat angles P-C4'-P energy: -33.620 tors. eta vs tors. theta energy: -32.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1159.049246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.049246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.049246 (E_RNA) where: Base-Base interactions energy: -818.326 where: short stacking energy: -360.021 Base-Backbone interact. energy: -0.311 local terms energy: -340.413001 where: bonds (distance) C4'-P energy: -62.275 bonds (distance) P-C4' energy: -62.914 flat angles C4'-P-C4' energy: -72.156 flat angles P-C4'-P energy: -40.150 tors. eta vs tors. theta energy: -102.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1157.463593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.463593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.463593 (E_RNA) where: Base-Base interactions energy: -809.293 where: short stacking energy: -338.341 Base-Backbone interact. energy: -1.160 local terms energy: -347.010375 where: bonds (distance) C4'-P energy: -63.496 bonds (distance) P-C4' energy: -69.805 flat angles C4'-P-C4' energy: -72.196 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: -90.109 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: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1084.857309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.857309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.857309 (E_RNA) where: Base-Base interactions energy: -756.432 where: short stacking energy: -344.911 Base-Backbone interact. energy: -2.145 local terms energy: -326.280288 where: bonds (distance) C4'-P energy: -50.799 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -71.195 flat angles P-C4'-P energy: -47.451 tors. eta vs tors. theta energy: -92.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1025.412649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.412649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.412649 (E_RNA) where: Base-Base interactions energy: -719.698 where: short stacking energy: -321.160 Base-Backbone interact. energy: 0.298 local terms energy: -306.013331 where: bonds (distance) C4'-P energy: -51.012 bonds (distance) P-C4' energy: -56.826 flat angles C4'-P-C4' energy: -68.144 flat angles P-C4'-P energy: -39.693 tors. eta vs tors. theta energy: -90.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -954.319035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.319035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.319035 (E_RNA) where: Base-Base interactions energy: -649.543 where: short stacking energy: -295.150 Base-Backbone interact. energy: -1.064 local terms energy: -303.711537 where: bonds (distance) C4'-P energy: -49.768 bonds (distance) P-C4' energy: -71.513 flat angles C4'-P-C4' energy: -60.524 flat angles P-C4'-P energy: -38.024 tors. eta vs tors. theta energy: -83.883 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: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -959.913559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.913559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.913559 (E_RNA) where: Base-Base interactions energy: -648.714 where: short stacking energy: -287.544 Base-Backbone interact. energy: 2.270 local terms energy: -313.469703 where: bonds (distance) C4'-P energy: -71.156 bonds (distance) P-C4' energy: -54.015 flat angles C4'-P-C4' energy: -69.597 flat angles P-C4'-P energy: -41.861 tors. eta vs tors. theta energy: -76.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -889.002630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.002630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.002630 (E_RNA) where: Base-Base interactions energy: -613.101 where: short stacking energy: -250.431 Base-Backbone interact. energy: -1.510 local terms energy: -274.391845 where: bonds (distance) C4'-P energy: -51.675 bonds (distance) P-C4' energy: -51.576 flat angles C4'-P-C4' energy: -62.409 flat angles P-C4'-P energy: -40.160 tors. eta vs tors. theta energy: -68.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -773.678437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.678437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.678437 (E_RNA) where: Base-Base interactions energy: -525.142 where: short stacking energy: -231.939 Base-Backbone interact. energy: 2.594 local terms energy: -251.130433 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -26.135 tors. eta vs tors. theta energy: -52.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -707.132255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.132255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.132255 (E_RNA) where: Base-Base interactions energy: -466.824 where: short stacking energy: -213.291 Base-Backbone interact. energy: -0.058 local terms energy: -240.250346 where: bonds (distance) C4'-P energy: -47.695 bonds (distance) P-C4' energy: -63.424 flat angles C4'-P-C4' energy: -44.731 flat angles P-C4'-P energy: -42.253 tors. eta vs tors. theta energy: -42.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -588.705379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.705379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.705379 (E_RNA) where: Base-Base interactions energy: -379.671 where: short stacking energy: -163.489 Base-Backbone interact. energy: -1.958 local terms energy: -207.076537 where: bonds (distance) C4'-P energy: -41.876 bonds (distance) P-C4' energy: -62.412 flat angles C4'-P-C4' energy: -41.231 flat angles P-C4'-P energy: -34.655 tors. eta vs tors. theta energy: -26.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1179.534370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.534370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.534370 (E_RNA) where: Base-Base interactions energy: -830.290 where: short stacking energy: -355.286 Base-Backbone interact. energy: -2.125 local terms energy: -347.120105 where: bonds (distance) C4'-P energy: -58.291 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -79.558 flat angles P-C4'-P energy: -51.431 tors. eta vs tors. theta energy: -95.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1140.696863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.696863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.696863 (E_RNA) where: Base-Base interactions energy: -801.113 where: short stacking energy: -352.821 Base-Backbone interact. energy: 0.838 local terms energy: -340.422319 where: bonds (distance) C4'-P energy: -70.226 bonds (distance) P-C4' energy: -66.904 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1064.957671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.957671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.957671 (E_RNA) where: Base-Base interactions energy: -739.571 where: short stacking energy: -320.515 Base-Backbone interact. energy: -0.820 local terms energy: -324.566782 where: bonds (distance) C4'-P energy: -45.904 bonds (distance) P-C4' energy: -64.763 flat angles C4'-P-C4' energy: -76.106 flat angles P-C4'-P energy: -47.874 tors. eta vs tors. theta energy: -89.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1045.777957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.777957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.777957 (E_RNA) where: Base-Base interactions energy: -730.127 where: short stacking energy: -336.471 Base-Backbone interact. energy: -0.524 local terms energy: -315.126644 where: bonds (distance) C4'-P energy: -53.376 bonds (distance) P-C4' energy: -58.835 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -40.592 tors. eta vs tors. theta energy: -98.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -983.984007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.984007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.984007 (E_RNA) where: Base-Base interactions energy: -670.370 where: short stacking energy: -291.893 Base-Backbone interact. energy: -0.379 local terms energy: -313.234416 where: bonds (distance) C4'-P energy: -51.835 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -65.731 flat angles P-C4'-P energy: -51.424 tors. eta vs tors. theta energy: -75.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -913.681128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.681128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.681128 (E_RNA) where: Base-Base interactions energy: -614.113 where: short stacking energy: -272.640 Base-Backbone interact. energy: 0.202 local terms energy: -299.769852 where: bonds (distance) C4'-P energy: -52.940 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -48.027 tors. eta vs tors. theta energy: -67.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -874.773122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.773122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.773122 (E_RNA) where: Base-Base interactions energy: -618.718 where: short stacking energy: -263.118 Base-Backbone interact. energy: 0.427 local terms energy: -256.482585 where: bonds (distance) C4'-P energy: -44.428 bonds (distance) P-C4' energy: -47.261 flat angles C4'-P-C4' energy: -68.144 flat angles P-C4'-P energy: -28.637 tors. eta vs tors. theta energy: -68.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -778.852136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.852136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.852136 (E_RNA) where: Base-Base interactions energy: -527.429 where: short stacking energy: -239.234 Base-Backbone interact. energy: 1.574 local terms energy: -252.997551 where: bonds (distance) C4'-P energy: -47.030 bonds (distance) P-C4' energy: -60.074 flat angles C4'-P-C4' energy: -61.871 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -44.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -709.959367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.959367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.959367 (E_RNA) where: Base-Base interactions energy: -473.965 where: short stacking energy: -206.447 Base-Backbone interact. energy: -0.890 local terms energy: -235.104324 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -56.798 flat angles C4'-P-C4' energy: -52.521 flat angles P-C4'-P energy: -31.248 tors. eta vs tors. theta energy: -39.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -615.322103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.322103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.322103 (E_RNA) where: Base-Base interactions energy: -406.282 where: short stacking energy: -195.595 Base-Backbone interact. energy: -1.264 local terms energy: -207.775805 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -47.709 flat angles C4'-P-C4' energy: -41.661 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -20.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1165.259630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.259630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.259630 (E_RNA) where: Base-Base interactions energy: -819.666 where: short stacking energy: -350.617 Base-Backbone interact. energy: -1.534 local terms energy: -344.059414 where: bonds (distance) C4'-P energy: -63.144 bonds (distance) P-C4' energy: -61.684 flat angles C4'-P-C4' energy: -79.320 flat angles P-C4'-P energy: -51.365 tors. eta vs tors. theta energy: -88.546 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1119.663073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.663073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.663073 (E_RNA) where: Base-Base interactions energy: -776.723 where: short stacking energy: -334.024 Base-Backbone interact. energy: -0.167 local terms energy: -342.772782 where: bonds (distance) C4'-P energy: -62.490 bonds (distance) P-C4' energy: -70.774 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -92.370 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: 409 Temperature: 1.000000 Total energy: -1121.003040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.003040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.003040 (E_RNA) where: Base-Base interactions energy: -783.504 where: short stacking energy: -342.733 Base-Backbone interact. energy: -0.178 local terms energy: -337.320494 where: bonds (distance) C4'-P energy: -56.534 bonds (distance) P-C4' energy: -63.650 flat angles C4'-P-C4' energy: -74.514 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: -97.884 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: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1044.188165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.188165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.188165 (E_RNA) where: Base-Base interactions energy: -717.801 where: short stacking energy: -326.100 Base-Backbone interact. energy: -1.418 local terms energy: -324.969222 where: bonds (distance) C4'-P energy: -52.987 bonds (distance) P-C4' energy: -59.365 flat angles C4'-P-C4' energy: -67.677 flat angles P-C4'-P energy: -50.107 tors. eta vs tors. theta energy: -94.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -965.841989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.841989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.841989 (E_RNA) where: Base-Base interactions energy: -663.682 where: short stacking energy: -293.457 Base-Backbone interact. energy: 2.621 local terms energy: -304.780878 where: bonds (distance) C4'-P energy: -52.995 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -66.663 flat angles P-C4'-P energy: -46.595 tors. eta vs tors. theta energy: -75.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -911.572769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.572769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.572769 (E_RNA) where: Base-Base interactions energy: -630.564 where: short stacking energy: -275.711 Base-Backbone interact. energy: -1.911 local terms energy: -279.097658 where: bonds (distance) C4'-P energy: -43.299 bonds (distance) P-C4' energy: -55.877 flat angles C4'-P-C4' energy: -70.759 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: -76.858 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: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -854.764016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.764016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.764016 (E_RNA) where: Base-Base interactions energy: -587.931 where: short stacking energy: -234.866 Base-Backbone interact. energy: -0.235 local terms energy: -266.598711 where: bonds (distance) C4'-P energy: -55.160 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -59.702 flat angles P-C4'-P energy: -40.113 tors. eta vs tors. theta energy: -55.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -793.176620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.176620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.176620 (E_RNA) where: Base-Base interactions energy: -527.796 where: short stacking energy: -228.997 Base-Backbone interact. energy: -1.015 local terms energy: -264.366099 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -53.084 flat angles C4'-P-C4' energy: -53.753 flat angles P-C4'-P energy: -40.966 tors. eta vs tors. theta energy: -56.368 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: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -675.645178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.645178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.645178 (E_RNA) where: Base-Base interactions energy: -435.218 where: short stacking energy: -188.896 Base-Backbone interact. energy: 1.925 local terms energy: -242.352021 where: bonds (distance) C4'-P energy: -50.235 bonds (distance) P-C4' energy: -50.344 flat angles C4'-P-C4' energy: -56.577 flat angles P-C4'-P energy: -38.258 tors. eta vs tors. theta energy: -46.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -598.541126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.541126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.541126 (E_RNA) where: Base-Base interactions energy: -377.412 where: short stacking energy: -163.294 Base-Backbone interact. energy: 0.276 local terms energy: -221.404701 where: bonds (distance) C4'-P energy: -58.522 bonds (distance) P-C4' energy: -50.515 flat angles C4'-P-C4' energy: -52.024 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: -18.684 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: 410 Temperature: 0.900000 Total energy: -1150.960869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.960869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.960869 (E_RNA) where: Base-Base interactions energy: -804.021 where: short stacking energy: -359.889 Base-Backbone interact. energy: 0.021 local terms energy: -346.961221 where: bonds (distance) C4'-P energy: -60.473 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -65.365 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -95.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1127.838290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.838290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.838290 (E_RNA) where: Base-Base interactions energy: -806.808 where: short stacking energy: -324.016 Base-Backbone interact. energy: -0.384 local terms energy: -320.645531 where: bonds (distance) C4'-P energy: -57.379 bonds (distance) P-C4' energy: -59.658 flat angles C4'-P-C4' energy: -70.928 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -91.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1109.360125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.360125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.360125 (E_RNA) where: Base-Base interactions energy: -781.906 where: short stacking energy: -323.865 Base-Backbone interact. energy: -0.417 local terms energy: -327.037733 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -75.893 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -93.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1060.603445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.603445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.603445 (E_RNA) where: Base-Base interactions energy: -730.405 where: short stacking energy: -326.923 Base-Backbone interact. energy: -1.529 local terms energy: -328.668645 where: bonds (distance) C4'-P energy: -50.967 bonds (distance) P-C4' energy: -65.454 flat angles C4'-P-C4' energy: -74.460 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -93.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -967.708739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.708739 (E_RNA) where: Base-Base interactions energy: -671.395 where: short stacking energy: -296.055 Base-Backbone interact. energy: -1.228 local terms energy: -295.085912 where: bonds (distance) C4'-P energy: -51.143 bonds (distance) P-C4' energy: -54.286 flat angles C4'-P-C4' energy: -67.436 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -81.138 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: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -961.245378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.245378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.245378 (E_RNA) where: Base-Base interactions energy: -658.456 where: short stacking energy: -283.372 Base-Backbone interact. energy: -0.070 local terms energy: -302.719260 where: bonds (distance) C4'-P energy: -58.555 bonds (distance) P-C4' energy: -68.853 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -37.273 tors. eta vs tors. theta energy: -80.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -882.606967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.606967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.606967 (E_RNA) where: Base-Base interactions energy: -615.018 where: short stacking energy: -256.301 Base-Backbone interact. energy: -0.914 local terms energy: -266.675408 where: bonds (distance) C4'-P energy: -46.468 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -59.117 flat angles P-C4'-P energy: -37.041 tors. eta vs tors. theta energy: -60.851 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: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -808.556864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.556864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.556864 (E_RNA) where: Base-Base interactions energy: -527.114 where: short stacking energy: -242.565 Base-Backbone interact. energy: -2.821 local terms energy: -278.621141 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -59.928 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -57.564 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: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -675.199367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.199367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.199367 (E_RNA) where: Base-Base interactions energy: -453.333 where: short stacking energy: -192.876 Base-Backbone interact. energy: -1.112 local terms energy: -220.754431 where: bonds (distance) C4'-P energy: -47.714 bonds (distance) P-C4' energy: -53.524 flat angles C4'-P-C4' energy: -57.962 flat angles P-C4'-P energy: -31.043 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: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -602.561815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.561815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.561815 (E_RNA) where: Base-Base interactions energy: -400.627 where: short stacking energy: -178.369 Base-Backbone interact. energy: 2.917 local terms energy: -204.851888 where: bonds (distance) C4'-P energy: -51.144 bonds (distance) P-C4' energy: -35.003 flat angles C4'-P-C4' energy: -59.191 flat angles P-C4'-P energy: -27.987 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: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1149.629102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.629102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.629102 (E_RNA) where: Base-Base interactions energy: -793.218 where: short stacking energy: -355.747 Base-Backbone interact. energy: -2.221 local terms energy: -354.190032 where: bonds (distance) C4'-P energy: -73.964 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -80.278 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -88.579 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: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1130.625344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.625344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.625344 (E_RNA) where: Base-Base interactions energy: -797.492 where: short stacking energy: -336.817 Base-Backbone interact. energy: -3.297 local terms energy: -329.835770 where: bonds (distance) C4'-P energy: -55.996 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -74.010 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: -82.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1105.488576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.488576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.488576 (E_RNA) where: Base-Base interactions energy: -784.753 where: short stacking energy: -347.849 Base-Backbone interact. energy: 7.520 local terms energy: -328.256154 where: bonds (distance) C4'-P energy: -55.660 bonds (distance) P-C4' energy: -64.102 flat angles C4'-P-C4' energy: -67.503 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -96.652 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: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1053.063805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.063805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.063805 (E_RNA) where: Base-Base interactions energy: -726.053 where: short stacking energy: -320.124 Base-Backbone interact. energy: -0.533 local terms energy: -326.477647 where: bonds (distance) C4'-P energy: -60.508 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -66.516 flat angles P-C4'-P energy: -46.156 tors. eta vs tors. theta energy: -94.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -962.364492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.364492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.364492 (E_RNA) where: Base-Base interactions energy: -655.818 where: short stacking energy: -285.463 Base-Backbone interact. energy: 0.133 local terms energy: -306.679995 where: bonds (distance) C4'-P energy: -58.171 bonds (distance) P-C4' energy: -60.806 flat angles C4'-P-C4' energy: -67.284 flat angles P-C4'-P energy: -39.598 tors. eta vs tors. theta energy: -80.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -943.621968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.621968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.621968 (E_RNA) where: Base-Base interactions energy: -644.809 where: short stacking energy: -274.567 Base-Backbone interact. energy: -1.401 local terms energy: -297.412089 where: bonds (distance) C4'-P energy: -58.457 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -54.005 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -74.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -895.767239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.767239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.767239 (E_RNA) where: Base-Base interactions energy: -646.294 where: short stacking energy: -256.799 Base-Backbone interact. energy: -2.100 local terms energy: -247.372583 where: bonds (distance) C4'-P energy: -47.276 bonds (distance) P-C4' energy: -39.013 flat angles C4'-P-C4' energy: -58.658 flat angles P-C4'-P energy: -30.113 tors. eta vs tors. theta energy: -72.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -793.723239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.723239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.723239 (E_RNA) where: Base-Base interactions energy: -512.859 where: short stacking energy: -240.419 Base-Backbone interact. energy: -0.757 local terms energy: -280.107775 where: bonds (distance) C4'-P energy: -54.057 bonds (distance) P-C4' energy: -62.206 flat angles C4'-P-C4' energy: -67.706 flat angles P-C4'-P energy: -31.439 tors. eta vs tors. theta energy: -64.700 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: 411 Temperature: 1.300000 Total energy: -679.847324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.847324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.847324 (E_RNA) where: Base-Base interactions energy: -458.263 where: short stacking energy: -215.545 Base-Backbone interact. energy: -2.279 local terms energy: -219.304697 where: bonds (distance) C4'-P energy: -46.591 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -45.451 flat angles P-C4'-P energy: -27.229 tors. eta vs tors. theta energy: -41.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -662.903136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.903136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.903136 (E_RNA) where: Base-Base interactions energy: -450.115 where: short stacking energy: -197.824 Base-Backbone interact. energy: -0.764 local terms energy: -212.023967 where: bonds (distance) C4'-P energy: -49.525 bonds (distance) P-C4' energy: -53.365 flat angles C4'-P-C4' energy: -49.610 flat angles P-C4'-P energy: -27.448 tors. eta vs tors. theta energy: -32.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1139.539303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.539303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.539303 (E_RNA) where: Base-Base interactions energy: -794.080 where: short stacking energy: -360.997 Base-Backbone interact. energy: -0.375 local terms energy: -345.084196 where: bonds (distance) C4'-P energy: -66.705 bonds (distance) P-C4' energy: -58.931 flat angles C4'-P-C4' energy: -69.015 flat angles P-C4'-P energy: -44.106 tors. eta vs tors. theta energy: -106.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1132.037908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.037908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.037908 (E_RNA) where: Base-Base interactions energy: -784.401 where: short stacking energy: -339.126 Base-Backbone interact. energy: 0.808 local terms energy: -348.444759 where: bonds (distance) C4'-P energy: -66.830 bonds (distance) P-C4' energy: -65.173 flat angles C4'-P-C4' energy: -72.078 flat angles P-C4'-P energy: -51.113 tors. eta vs tors. theta energy: -93.252 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: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1071.238900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.238900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.238900 (E_RNA) where: Base-Base interactions energy: -733.584 where: short stacking energy: -336.494 Base-Backbone interact. energy: -0.708 local terms energy: -336.945973 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -66.595 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -105.348 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: 412 Temperature: 1.050000 Total energy: -1044.956552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.956552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.956552 (E_RNA) where: Base-Base interactions energy: -733.427 where: short stacking energy: -331.838 Base-Backbone interact. energy: -0.491 local terms energy: -311.038534 where: bonds (distance) C4'-P energy: -52.108 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -68.698 flat angles P-C4'-P energy: -47.039 tors. eta vs tors. theta energy: -88.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -990.176046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.176046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.176046 (E_RNA) where: Base-Base interactions energy: -684.339 where: short stacking energy: -304.866 Base-Backbone interact. energy: 5.449 local terms energy: -311.285494 where: bonds (distance) C4'-P energy: -67.564 bonds (distance) P-C4' energy: -58.689 flat angles C4'-P-C4' energy: -60.903 flat angles P-C4'-P energy: -42.657 tors. eta vs tors. theta energy: -81.472 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: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -957.843116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.843116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.843116 (E_RNA) where: Base-Base interactions energy: -649.360 where: short stacking energy: -284.398 Base-Backbone interact. energy: -0.360 local terms energy: -308.123222 where: bonds (distance) C4'-P energy: -60.766 bonds (distance) P-C4' energy: -61.941 flat angles C4'-P-C4' energy: -64.217 flat angles P-C4'-P energy: -39.186 tors. eta vs tors. theta energy: -82.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -890.811977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.811977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.811977 (E_RNA) where: Base-Base interactions energy: -625.322 where: short stacking energy: -262.813 Base-Backbone interact. energy: -0.139 local terms energy: -265.351265 where: bonds (distance) C4'-P energy: -46.282 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -58.062 flat angles P-C4'-P energy: -31.831 tors. eta vs tors. theta energy: -65.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -778.411161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.411161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.411161 (E_RNA) where: Base-Base interactions energy: -543.238 where: short stacking energy: -236.116 Base-Backbone interact. energy: 1.164 local terms energy: -236.337383 where: bonds (distance) C4'-P energy: -47.649 bonds (distance) P-C4' energy: -55.586 flat angles C4'-P-C4' energy: -52.757 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -47.051 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: 412 Temperature: 1.300000 Total energy: -702.396300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.396300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.396300 (E_RNA) where: Base-Base interactions energy: -472.569 where: short stacking energy: -230.512 Base-Backbone interact. energy: -0.407 local terms energy: -229.420191 where: bonds (distance) C4'-P energy: -48.053 bonds (distance) P-C4' energy: -51.366 flat angles C4'-P-C4' energy: -54.380 flat angles P-C4'-P energy: -25.644 tors. eta vs tors. theta energy: -49.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -609.563950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.563950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.563950 (E_RNA) where: Base-Base interactions energy: -401.531 where: short stacking energy: -192.033 Base-Backbone interact. energy: 1.566 local terms energy: -209.599373 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -36.026 flat angles C4'-P-C4' energy: -48.821 flat angles P-C4'-P energy: -25.766 tors. eta vs tors. theta energy: -40.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1144.468856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.468856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.468856 (E_RNA) where: Base-Base interactions energy: -785.520 where: short stacking energy: -342.890 Base-Backbone interact. energy: -1.026 local terms energy: -357.923025 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -66.953 flat angles C4'-P-C4' energy: -74.091 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: -93.947 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: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1105.857535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.857535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.857535 (E_RNA) where: Base-Base interactions energy: -779.929 where: short stacking energy: -323.420 Base-Backbone interact. energy: 2.554 local terms energy: -328.482347 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -63.526 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -90.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1097.462529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.462529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.462529 (E_RNA) where: Base-Base interactions energy: -747.990 where: short stacking energy: -342.773 Base-Backbone interact. energy: -1.056 local terms energy: -348.416335 where: bonds (distance) C4'-P energy: -64.738 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -42.622 tors. eta vs tors. theta energy: -102.544 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: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1041.875528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.875528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.875528 (E_RNA) where: Base-Base interactions energy: -709.275 where: short stacking energy: -321.089 Base-Backbone interact. energy: 0.653 local terms energy: -333.253667 where: bonds (distance) C4'-P energy: -54.008 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -72.390 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -97.302 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: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1019.503954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.503954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.503954 (E_RNA) where: Base-Base interactions energy: -718.002 where: short stacking energy: -314.522 Base-Backbone interact. energy: -2.136 local terms energy: -299.365967 where: bonds (distance) C4'-P energy: -58.221 bonds (distance) P-C4' energy: -57.917 flat angles C4'-P-C4' energy: -60.389 flat angles P-C4'-P energy: -38.026 tors. eta vs tors. theta energy: -84.812 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: 413 Temperature: 1.150000 Total energy: -962.373824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.373824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.373824 (E_RNA) where: Base-Base interactions energy: -663.781 where: short stacking energy: -290.703 Base-Backbone interact. energy: -0.471 local terms energy: -298.121778 where: bonds (distance) C4'-P energy: -48.360 bonds (distance) P-C4' energy: -52.569 flat angles C4'-P-C4' energy: -71.490 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: -81.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -880.643297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.643297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.643297 (E_RNA) where: Base-Base interactions energy: -607.748 where: short stacking energy: -258.757 Base-Backbone interact. energy: 0.241 local terms energy: -273.135739 where: bonds (distance) C4'-P energy: -51.661 bonds (distance) P-C4' energy: -50.556 flat angles C4'-P-C4' energy: -56.356 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: -74.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -770.349602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.349602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.349602 (E_RNA) where: Base-Base interactions energy: -514.122 where: short stacking energy: -247.376 Base-Backbone interact. energy: -0.025 local terms energy: -256.201798 where: bonds (distance) C4'-P energy: -50.896 bonds (distance) P-C4' energy: -53.937 flat angles C4'-P-C4' energy: -59.547 flat angles P-C4'-P energy: -40.090 tors. eta vs tors. theta energy: -51.732 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: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -690.263411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.263411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.263411 (E_RNA) where: Base-Base interactions energy: -449.668 where: short stacking energy: -196.925 Base-Backbone interact. energy: -1.064 local terms energy: -239.530679 where: bonds (distance) C4'-P energy: -51.801 bonds (distance) P-C4' energy: -51.339 flat angles C4'-P-C4' energy: -58.983 flat angles P-C4'-P energy: -28.067 tors. eta vs tors. theta energy: -49.340 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: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -520.491550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.491550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.491550 (E_RNA) where: Base-Base interactions energy: -317.225 where: short stacking energy: -166.269 Base-Backbone interact. energy: -1.182 local terms energy: -202.084428 where: bonds (distance) C4'-P energy: -48.642 bonds (distance) P-C4' energy: -60.039 flat angles C4'-P-C4' energy: -40.968 flat angles P-C4'-P energy: -31.351 tors. eta vs tors. theta energy: -21.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1148.051183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.051183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.051183 (E_RNA) where: Base-Base interactions energy: -777.980 where: short stacking energy: -350.425 Base-Backbone interact. energy: -0.411 local terms energy: -369.660317 where: bonds (distance) C4'-P energy: -69.990 bonds (distance) P-C4' energy: -67.151 flat angles C4'-P-C4' energy: -80.722 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: -96.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1121.038066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.038066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.038066 (E_RNA) where: Base-Base interactions energy: -790.144 where: short stacking energy: -330.039 Base-Backbone interact. energy: -2.272 local terms energy: -328.621722 where: bonds (distance) C4'-P energy: -55.849 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -74.707 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: -84.133 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: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1090.202793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.202793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.202793 (E_RNA) where: Base-Base interactions energy: -741.545 where: short stacking energy: -349.518 Base-Backbone interact. energy: -0.069 local terms energy: -348.588992 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -67.816 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -47.077 tors. eta vs tors. theta energy: -106.251 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: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1042.099088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.099088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.099088 (E_RNA) where: Base-Base interactions energy: -725.435 where: short stacking energy: -317.466 Base-Backbone interact. energy: -1.195 local terms energy: -315.469544 where: bonds (distance) C4'-P energy: -52.560 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -52.614 tors. eta vs tors. theta energy: -85.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1014.600325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.600325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.600325 (E_RNA) where: Base-Base interactions energy: -714.493 where: short stacking energy: -329.856 Base-Backbone interact. energy: -0.265 local terms energy: -299.842837 where: bonds (distance) C4'-P energy: -51.854 bonds (distance) P-C4' energy: -56.518 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -37.993 tors. eta vs tors. theta energy: -87.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -959.796598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.796598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.796598 (E_RNA) where: Base-Base interactions energy: -648.011 where: short stacking energy: -288.711 Base-Backbone interact. energy: -0.499 local terms energy: -311.287285 where: bonds (distance) C4'-P energy: -64.548 bonds (distance) P-C4' energy: -57.477 flat angles C4'-P-C4' energy: -63.134 flat angles P-C4'-P energy: -45.857 tors. eta vs tors. theta energy: -80.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -887.642100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.642100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.642100 (E_RNA) where: Base-Base interactions energy: -610.330 where: short stacking energy: -258.799 Base-Backbone interact. energy: -1.801 local terms energy: -275.510939 where: bonds (distance) C4'-P energy: -47.282 bonds (distance) P-C4' energy: -57.628 flat angles C4'-P-C4' energy: -67.156 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: -63.902 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: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -798.401134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.401134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.401134 (E_RNA) where: Base-Base interactions energy: -553.682 where: short stacking energy: -268.301 Base-Backbone interact. energy: 5.058 local terms energy: -249.776599 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -45.383 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -27.516 tors. eta vs tors. theta energy: -62.425 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: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -732.394548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.394548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.394548 (E_RNA) where: Base-Base interactions energy: -492.124 where: short stacking energy: -226.423 Base-Backbone interact. energy: -0.972 local terms energy: -239.298221 where: bonds (distance) C4'-P energy: -47.076 bonds (distance) P-C4' energy: -50.790 flat angles C4'-P-C4' energy: -50.049 flat angles P-C4'-P energy: -37.624 tors. eta vs tors. theta energy: -53.759 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: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -500.493232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.493232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.493232 (E_RNA) where: Base-Base interactions energy: -308.817 where: short stacking energy: -153.448 Base-Backbone interact. energy: 2.285 local terms energy: -193.961151 where: bonds (distance) C4'-P energy: -36.948 bonds (distance) P-C4' energy: -47.469 flat angles C4'-P-C4' energy: -57.837 flat angles P-C4'-P energy: -27.128 tors. eta vs tors. theta energy: -24.578 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: 415 Temperature: 0.900000 Total energy: -1152.877686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.877686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.877686 (E_RNA) where: Base-Base interactions energy: -808.268 where: short stacking energy: -351.000 Base-Backbone interact. energy: -0.298 local terms energy: -344.311947 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -63.756 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -54.510 tors. eta vs tors. theta energy: -100.735 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: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1098.459796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.459796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.459796 (E_RNA) where: Base-Base interactions energy: -761.744 where: short stacking energy: -359.619 Base-Backbone interact. energy: -0.711 local terms energy: -336.005014 where: bonds (distance) C4'-P energy: -53.678 bonds (distance) P-C4' energy: -63.491 flat angles C4'-P-C4' energy: -66.266 flat angles P-C4'-P energy: -44.637 tors. eta vs tors. theta energy: -107.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1112.875467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.875467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.875467 (E_RNA) where: Base-Base interactions energy: -784.962 where: short stacking energy: -328.970 Base-Backbone interact. energy: -3.694 local terms energy: -324.219627 where: bonds (distance) C4'-P energy: -54.790 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -67.656 flat angles P-C4'-P energy: -48.508 tors. eta vs tors. theta energy: -95.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1026.856103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.856103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.856103 (E_RNA) where: Base-Base interactions energy: -707.532 where: short stacking energy: -314.263 Base-Backbone interact. energy: -0.587 local terms energy: -318.736914 where: bonds (distance) C4'-P energy: -52.591 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -71.274 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -87.405 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: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1020.645868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.645868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.645868 (E_RNA) where: Base-Base interactions energy: -711.997 where: short stacking energy: -315.522 Base-Backbone interact. energy: -0.538 local terms energy: -308.110903 where: bonds (distance) C4'-P energy: -55.343 bonds (distance) P-C4' energy: -56.466 flat angles C4'-P-C4' energy: -56.886 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -94.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -954.198192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.198192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.198192 (E_RNA) where: Base-Base interactions energy: -660.029 where: short stacking energy: -292.568 Base-Backbone interact. energy: -1.477 local terms energy: -292.692387 where: bonds (distance) C4'-P energy: -60.788 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -64.002 flat angles P-C4'-P energy: -30.152 tors. eta vs tors. theta energy: -76.382 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: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -917.877575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.877575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.877575 (E_RNA) where: Base-Base interactions energy: -660.163 where: short stacking energy: -285.755 Base-Backbone interact. energy: 4.352 local terms energy: -262.066366 where: bonds (distance) C4'-P energy: -45.888 bonds (distance) P-C4' energy: -54.244 flat angles C4'-P-C4' energy: -56.651 flat angles P-C4'-P energy: -38.460 tors. eta vs tors. theta energy: -66.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -820.810819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.810819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.810819 (E_RNA) where: Base-Base interactions energy: -559.522 where: short stacking energy: -262.109 Base-Backbone interact. energy: 3.228 local terms energy: -264.516818 where: bonds (distance) C4'-P energy: -51.120 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -53.368 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: -65.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -689.130565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.130565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.130565 (E_RNA) where: Base-Base interactions energy: -448.076 where: short stacking energy: -187.112 Base-Backbone interact. energy: -0.224 local terms energy: -240.830123 where: bonds (distance) C4'-P energy: -57.253 bonds (distance) P-C4' energy: -49.077 flat angles C4'-P-C4' energy: -64.635 flat angles P-C4'-P energy: -22.706 tors. eta vs tors. theta energy: -47.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -522.934908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.934908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.934908 (E_RNA) where: Base-Base interactions energy: -335.421 where: short stacking energy: -176.100 Base-Backbone interact. energy: -0.396 local terms energy: -187.118575 where: bonds (distance) C4'-P energy: -41.309 bonds (distance) P-C4' energy: -45.814 flat angles C4'-P-C4' energy: -58.977 flat angles P-C4'-P energy: -16.098 tors. eta vs tors. theta energy: -24.920 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: 416 Temperature: 0.900000 Total energy: -1149.056067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.056067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.056067 (E_RNA) where: Base-Base interactions energy: -798.507 where: short stacking energy: -339.202 Base-Backbone interact. energy: -1.964 local terms energy: -348.585444 where: bonds (distance) C4'-P energy: -67.489 bonds (distance) P-C4' energy: -61.175 flat angles C4'-P-C4' energy: -74.993 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -95.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1111.659072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.659072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.659072 (E_RNA) where: Base-Base interactions energy: -754.042 where: short stacking energy: -343.745 Base-Backbone interact. energy: -1.534 local terms energy: -356.082547 where: bonds (distance) C4'-P energy: -66.342 bonds (distance) P-C4' energy: -61.858 flat angles C4'-P-C4' energy: -78.217 flat angles P-C4'-P energy: -41.655 tors. eta vs tors. theta energy: -108.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1090.090071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.090071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.090071 (E_RNA) where: Base-Base interactions energy: -766.242 where: short stacking energy: -325.747 Base-Backbone interact. energy: -1.525 local terms energy: -322.322310 where: bonds (distance) C4'-P energy: -57.067 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -66.178 flat angles P-C4'-P energy: -44.767 tors. eta vs tors. theta energy: -90.673 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: 416 Temperature: 1.050000 Total energy: -1039.970553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.970553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.970553 (E_RNA) where: Base-Base interactions energy: -732.478 where: short stacking energy: -318.816 Base-Backbone interact. energy: 4.161 local terms energy: -311.653044 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -59.006 flat angles C4'-P-C4' energy: -67.415 flat angles P-C4'-P energy: -39.863 tors. eta vs tors. theta energy: -84.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -978.429177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.429177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.429177 (E_RNA) where: Base-Base interactions energy: -675.216 where: short stacking energy: -308.467 Base-Backbone interact. energy: -0.515 local terms energy: -302.698853 where: bonds (distance) C4'-P energy: -60.107 bonds (distance) P-C4' energy: -48.696 flat angles C4'-P-C4' energy: -72.670 flat angles P-C4'-P energy: -40.083 tors. eta vs tors. theta energy: -81.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -990.027836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.027836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.027836 (E_RNA) where: Base-Base interactions energy: -678.415 where: short stacking energy: -296.961 Base-Backbone interact. energy: -0.572 local terms energy: -311.041476 where: bonds (distance) C4'-P energy: -49.634 bonds (distance) P-C4' energy: -50.427 flat angles C4'-P-C4' energy: -72.183 flat angles P-C4'-P energy: -47.104 tors. eta vs tors. theta energy: -91.693 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: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -917.844241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.844241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.844241 (E_RNA) where: Base-Base interactions energy: -630.798 where: short stacking energy: -251.426 Base-Backbone interact. energy: 7.522 local terms energy: -294.568497 where: bonds (distance) C4'-P energy: -55.024 bonds (distance) P-C4' energy: -55.437 flat angles C4'-P-C4' energy: -67.324 flat angles P-C4'-P energy: -47.877 tors. eta vs tors. theta energy: -68.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -807.060065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.060065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.060065 (E_RNA) where: Base-Base interactions energy: -547.414 where: short stacking energy: -255.431 Base-Backbone interact. energy: -0.233 local terms energy: -259.413606 where: bonds (distance) C4'-P energy: -50.683 bonds (distance) P-C4' energy: -57.634 flat angles C4'-P-C4' energy: -57.429 flat angles P-C4'-P energy: -37.375 tors. eta vs tors. theta energy: -56.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -670.404923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.404923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.404923 (E_RNA) where: Base-Base interactions energy: -440.888 where: short stacking energy: -197.544 Base-Backbone interact. energy: -1.407 local terms energy: -228.109579 where: bonds (distance) C4'-P energy: -42.326 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -50.437 flat angles P-C4'-P energy: -34.805 tors. eta vs tors. theta energy: -36.258 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: 416 Temperature: 1.350000 Total energy: -492.148767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.148767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.148767 (E_RNA) where: Base-Base interactions energy: -298.673 where: short stacking energy: -151.982 Base-Backbone interact. energy: -0.697 local terms energy: -192.778735 where: bonds (distance) C4'-P energy: -43.929 bonds (distance) P-C4' energy: -43.428 flat angles C4'-P-C4' energy: -51.026 flat angles P-C4'-P energy: -33.468 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: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1151.132842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.132842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.132842 (E_RNA) where: Base-Base interactions energy: -801.675 where: short stacking energy: -338.724 Base-Backbone interact. energy: -1.258 local terms energy: -348.200284 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -71.728 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: -95.417 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: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1121.808669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.808669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.808669 (E_RNA) where: Base-Base interactions energy: -780.370 where: short stacking energy: -335.192 Base-Backbone interact. energy: -2.376 local terms energy: -339.061941 where: bonds (distance) C4'-P energy: -59.278 bonds (distance) P-C4' energy: -67.073 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: -93.399 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: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1096.157933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.157933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.157933 (E_RNA) where: Base-Base interactions energy: -741.360 where: short stacking energy: -344.544 Base-Backbone interact. energy: -2.396 local terms energy: -352.401940 where: bonds (distance) C4'-P energy: -57.837 bonds (distance) P-C4' energy: -70.622 flat angles C4'-P-C4' energy: -72.235 flat angles P-C4'-P energy: -52.689 tors. eta vs tors. theta energy: -99.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1055.559700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.559700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.559700 (E_RNA) where: Base-Base interactions energy: -719.769 where: short stacking energy: -312.466 Base-Backbone interact. energy: -2.352 local terms energy: -333.439625 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -65.632 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -90.509 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: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1011.388887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.388887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.388887 (E_RNA) where: Base-Base interactions energy: -689.880 where: short stacking energy: -299.987 Base-Backbone interact. energy: -0.726 local terms energy: -320.782165 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -47.032 tors. eta vs tors. theta energy: -83.037 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: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -948.288148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.288148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.288148 (E_RNA) where: Base-Base interactions energy: -642.243 where: short stacking energy: -278.102 Base-Backbone interact. energy: -1.842 local terms energy: -304.203791 where: bonds (distance) C4'-P energy: -54.414 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -69.078 flat angles P-C4'-P energy: -38.669 tors. eta vs tors. theta energy: -76.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -906.522623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.522623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.522623 (E_RNA) where: Base-Base interactions energy: -628.167 where: short stacking energy: -273.468 Base-Backbone interact. energy: -1.173 local terms energy: -277.182719 where: bonds (distance) C4'-P energy: -47.629 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -63.955 flat angles P-C4'-P energy: -31.598 tors. eta vs tors. theta energy: -73.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -803.927432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.927432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.927432 (E_RNA) where: Base-Base interactions energy: -558.561 where: short stacking energy: -230.921 Base-Backbone interact. energy: -0.802 local terms energy: -244.564056 where: bonds (distance) C4'-P energy: -52.310 bonds (distance) P-C4' energy: -45.688 flat angles C4'-P-C4' energy: -55.333 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: -56.864 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: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -688.560620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.560620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.560620 (E_RNA) where: Base-Base interactions energy: -447.920 where: short stacking energy: -198.182 Base-Backbone interact. energy: -0.698 local terms energy: -239.942198 where: bonds (distance) C4'-P energy: -57.155 bonds (distance) P-C4' energy: -57.559 flat angles C4'-P-C4' energy: -60.643 flat angles P-C4'-P energy: -23.063 tors. eta vs tors. theta energy: -41.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -532.561010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.561010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.561010 (E_RNA) where: Base-Base interactions energy: -330.723 where: short stacking energy: -168.583 Base-Backbone interact. energy: -0.810 local terms energy: -201.027433 where: bonds (distance) C4'-P energy: -55.014 bonds (distance) P-C4' energy: -53.613 flat angles C4'-P-C4' energy: -44.482 flat angles P-C4'-P energy: -28.036 tors. eta vs tors. theta energy: -19.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1144.112773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.112773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.112773 (E_RNA) where: Base-Base interactions energy: -795.510 where: short stacking energy: -344.211 Base-Backbone interact. energy: -1.445 local terms energy: -347.156957 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -72.187 flat angles C4'-P-C4' energy: -76.739 flat angles P-C4'-P energy: -44.658 tors. eta vs tors. theta energy: -94.076 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: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1101.718375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.718375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.718375 (E_RNA) where: Base-Base interactions energy: -772.663 where: short stacking energy: -330.764 Base-Backbone interact. energy: -1.617 local terms energy: -327.438356 where: bonds (distance) C4'-P energy: -57.174 bonds (distance) P-C4' energy: -60.863 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -93.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1095.235449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.235449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.235449 (E_RNA) where: Base-Base interactions energy: -760.398 where: short stacking energy: -342.951 Base-Backbone interact. energy: -1.222 local terms energy: -333.615752 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -98.823 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: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1059.753368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.753368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.753368 (E_RNA) where: Base-Base interactions energy: -735.667 where: short stacking energy: -339.198 Base-Backbone interact. energy: -0.870 local terms energy: -323.215738 where: bonds (distance) C4'-P energy: -55.092 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -94.762 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: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1004.487493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.487493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.487493 (E_RNA) where: Base-Base interactions energy: -701.781 where: short stacking energy: -308.975 Base-Backbone interact. energy: 0.562 local terms energy: -303.268110 where: bonds (distance) C4'-P energy: -53.914 bonds (distance) P-C4' energy: -53.886 flat angles C4'-P-C4' energy: -64.998 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -86.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -968.636885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.636885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.636885 (E_RNA) where: Base-Base interactions energy: -660.580 where: short stacking energy: -296.585 Base-Backbone interact. energy: -0.710 local terms energy: -307.346860 where: bonds (distance) C4'-P energy: -49.343 bonds (distance) P-C4' energy: -60.044 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -83.984 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: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -898.975276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.975276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.975276 (E_RNA) where: Base-Base interactions energy: -613.707 where: short stacking energy: -253.853 Base-Backbone interact. energy: -0.027 local terms energy: -285.241706 where: bonds (distance) C4'-P energy: -48.719 bonds (distance) P-C4' energy: -52.598 flat angles C4'-P-C4' energy: -68.557 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -72.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -778.517201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.517201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.517201 (E_RNA) where: Base-Base interactions energy: -520.308 where: short stacking energy: -232.756 Base-Backbone interact. energy: -1.611 local terms energy: -256.597466 where: bonds (distance) C4'-P energy: -51.189 bonds (distance) P-C4' energy: -48.904 flat angles C4'-P-C4' energy: -57.190 flat angles P-C4'-P energy: -43.297 tors. eta vs tors. theta energy: -56.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -696.995554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.995554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.995554 (E_RNA) where: Base-Base interactions energy: -446.422 where: short stacking energy: -206.158 Base-Backbone interact. energy: -0.507 local terms energy: -250.066722 where: bonds (distance) C4'-P energy: -56.314 bonds (distance) P-C4' energy: -54.823 flat angles C4'-P-C4' energy: -53.285 flat angles P-C4'-P energy: -35.319 tors. eta vs tors. theta energy: -50.327 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: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -509.023338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.023338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.023338 (E_RNA) where: Base-Base interactions energy: -323.023 where: short stacking energy: -141.678 Base-Backbone interact. energy: 2.200 local terms energy: -188.200733 where: bonds (distance) C4'-P energy: -46.046 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -35.049 flat angles P-C4'-P energy: -23.470 tors. eta vs tors. theta energy: -28.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1139.096354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.096354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.096354 (E_RNA) where: Base-Base interactions energy: -807.910 where: short stacking energy: -345.086 Base-Backbone interact. energy: -1.418 local terms energy: -329.768497 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -58.379 flat angles C4'-P-C4' energy: -68.154 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: -94.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1090.299102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.299102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.299102 (E_RNA) where: Base-Base interactions energy: -763.651 where: short stacking energy: -333.030 Base-Backbone interact. energy: -0.746 local terms energy: -325.902189 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -54.955 flat angles C4'-P-C4' energy: -67.043 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -96.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1097.534961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.534961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.534961 (E_RNA) where: Base-Base interactions energy: -774.382 where: short stacking energy: -329.574 Base-Backbone interact. energy: -0.223 local terms energy: -322.929293 where: bonds (distance) C4'-P energy: -52.929 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -73.249 flat angles P-C4'-P energy: -40.317 tors. eta vs tors. theta energy: -91.818 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: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1025.667037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.667037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.667037 (E_RNA) where: Base-Base interactions energy: -698.218 where: short stacking energy: -325.576 Base-Backbone interact. energy: -0.901 local terms energy: -326.548438 where: bonds (distance) C4'-P energy: -55.215 bonds (distance) P-C4' energy: -52.002 flat angles C4'-P-C4' energy: -75.271 flat angles P-C4'-P energy: -52.070 tors. eta vs tors. theta energy: -91.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1026.551250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.551250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.551250 (E_RNA) where: Base-Base interactions energy: -703.197 where: short stacking energy: -327.574 Base-Backbone interact. energy: -0.837 local terms energy: -322.517292 where: bonds (distance) C4'-P energy: -55.952 bonds (distance) P-C4' energy: -60.415 flat angles C4'-P-C4' energy: -59.095 flat angles P-C4'-P energy: -45.037 tors. eta vs tors. theta energy: -102.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -960.627090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.627090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.627090 (E_RNA) where: Base-Base interactions energy: -664.297 where: short stacking energy: -290.065 Base-Backbone interact. energy: -1.193 local terms energy: -295.136760 where: bonds (distance) C4'-P energy: -42.606 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -78.189 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -910.407192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.407192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.407192 (E_RNA) where: Base-Base interactions energy: -630.786 where: short stacking energy: -276.370 Base-Backbone interact. energy: -0.213 local terms energy: -279.408662 where: bonds (distance) C4'-P energy: -52.917 bonds (distance) P-C4' energy: -54.463 flat angles C4'-P-C4' energy: -63.310 flat angles P-C4'-P energy: -38.556 tors. eta vs tors. theta energy: -70.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -764.915673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.915673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.915673 (E_RNA) where: Base-Base interactions energy: -512.285 where: short stacking energy: -235.042 Base-Backbone interact. energy: 2.418 local terms energy: -255.048277 where: bonds (distance) C4'-P energy: -44.648 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -60.065 flat angles P-C4'-P energy: -36.254 tors. eta vs tors. theta energy: -59.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -654.737756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.737756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.737756 (E_RNA) where: Base-Base interactions energy: -433.546 where: short stacking energy: -201.104 Base-Backbone interact. energy: -0.311 local terms energy: -220.881112 where: bonds (distance) C4'-P energy: -54.513 bonds (distance) P-C4' energy: -51.566 flat angles C4'-P-C4' energy: -50.476 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: -30.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -498.253761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.253761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.253761 (E_RNA) where: Base-Base interactions energy: -293.104 where: short stacking energy: -151.261 Base-Backbone interact. energy: 1.233 local terms energy: -206.383047 where: bonds (distance) C4'-P energy: -46.891 bonds (distance) P-C4' energy: -49.229 flat angles C4'-P-C4' energy: -59.404 flat angles P-C4'-P energy: -35.179 tors. eta vs tors. theta energy: -15.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1158.261857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.261857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.261857 (E_RNA) where: Base-Base interactions energy: -799.737 where: short stacking energy: -354.987 Base-Backbone interact. energy: -1.696 local terms energy: -356.828330 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -75.595 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: -100.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1078.641694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.641694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.641694 (E_RNA) where: Base-Base interactions energy: -759.792 where: short stacking energy: -336.322 Base-Backbone interact. energy: -0.426 local terms energy: -318.424353 where: bonds (distance) C4'-P energy: -53.161 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -68.383 flat angles P-C4'-P energy: -41.016 tors. eta vs tors. theta energy: -92.836 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: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1111.999206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.999206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.999206 (E_RNA) where: Base-Base interactions energy: -785.817 where: short stacking energy: -323.652 Base-Backbone interact. energy: -1.849 local terms energy: -324.332544 where: bonds (distance) C4'-P energy: -51.237 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -71.019 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -89.621 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: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1026.779385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.779385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.779385 (E_RNA) where: Base-Base interactions energy: -698.377 where: short stacking energy: -307.705 Base-Backbone interact. energy: -0.576 local terms energy: -327.827132 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -55.764 flat angles C4'-P-C4' energy: -61.137 flat angles P-C4'-P energy: -51.812 tors. eta vs tors. theta energy: -92.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -964.707994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.707994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.707994 (E_RNA) where: Base-Base interactions energy: -666.398 where: short stacking energy: -281.628 Base-Backbone interact. energy: 0.858 local terms energy: -299.168367 where: bonds (distance) C4'-P energy: -66.007 bonds (distance) P-C4' energy: -60.536 flat angles C4'-P-C4' energy: -50.243 flat angles P-C4'-P energy: -44.498 tors. eta vs tors. theta energy: -77.884 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: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1006.452132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.452132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.452132 (E_RNA) where: Base-Base interactions energy: -697.640 where: short stacking energy: -321.700 Base-Backbone interact. energy: 1.338 local terms energy: -310.149939 where: bonds (distance) C4'-P energy: -50.861 bonds (distance) P-C4' energy: -53.077 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -44.676 tors. eta vs tors. theta energy: -93.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -872.692959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.692959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.692959 (E_RNA) where: Base-Base interactions energy: -619.613 where: short stacking energy: -251.623 Base-Backbone interact. energy: 3.147 local terms energy: -256.226670 where: bonds (distance) C4'-P energy: -45.861 bonds (distance) P-C4' energy: -58.703 flat angles C4'-P-C4' energy: -57.528 flat angles P-C4'-P energy: -31.480 tors. eta vs tors. theta energy: -62.654 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: 420 Temperature: 1.250000 Total energy: -754.477830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.477830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.477830 (E_RNA) where: Base-Base interactions energy: -518.181 where: short stacking energy: -226.298 Base-Backbone interact. energy: -0.515 local terms energy: -235.781581 where: bonds (distance) C4'-P energy: -49.912 bonds (distance) P-C4' energy: -48.517 flat angles C4'-P-C4' energy: -45.187 flat angles P-C4'-P energy: -43.565 tors. eta vs tors. theta energy: -48.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -661.408633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.408633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.408633 (E_RNA) where: Base-Base interactions energy: -434.527 where: short stacking energy: -199.947 Base-Backbone interact. energy: -0.961 local terms energy: -225.921186 where: bonds (distance) C4'-P energy: -48.859 bonds (distance) P-C4' energy: -54.331 flat angles C4'-P-C4' energy: -65.458 flat angles P-C4'-P energy: -19.238 tors. eta vs tors. theta energy: -38.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -512.935277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.935277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.935277 (E_RNA) where: Base-Base interactions energy: -301.206 where: short stacking energy: -144.484 Base-Backbone interact. energy: -0.328 local terms energy: -211.400905 where: bonds (distance) C4'-P energy: -44.415 bonds (distance) P-C4' energy: -51.973 flat angles C4'-P-C4' energy: -54.045 flat angles P-C4'-P energy: -35.054 tors. eta vs tors. theta energy: -25.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1138.392988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.392988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.392988 (E_RNA) where: Base-Base interactions energy: -777.197 where: short stacking energy: -352.703 Base-Backbone interact. energy: -1.145 local terms energy: -360.050737 where: bonds (distance) C4'-P energy: -64.603 bonds (distance) P-C4' energy: -71.079 flat angles C4'-P-C4' energy: -72.798 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -97.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1147.386624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.386624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.386624 (E_RNA) where: Base-Base interactions energy: -815.735 where: short stacking energy: -330.510 Base-Backbone interact. energy: -0.480 local terms energy: -331.171474 where: bonds (distance) C4'-P energy: -71.416 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -60.353 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -84.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1069.479792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.479792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.479792 (E_RNA) where: Base-Base interactions energy: -736.784 where: short stacking energy: -331.474 Base-Backbone interact. energy: -1.308 local terms energy: -331.388250 where: bonds (distance) C4'-P energy: -54.908 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -89.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1053.467159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.467159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.467159 (E_RNA) where: Base-Base interactions energy: -729.698 where: short stacking energy: -316.196 Base-Backbone interact. energy: -2.586 local terms energy: -321.183348 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -58.158 flat angles C4'-P-C4' energy: -71.262 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -91.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -978.821891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.821891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.821891 (E_RNA) where: Base-Base interactions energy: -674.851 where: short stacking energy: -300.400 Base-Backbone interact. energy: -2.607 local terms energy: -301.363585 where: bonds (distance) C4'-P energy: -50.439 bonds (distance) P-C4' energy: -54.582 flat angles C4'-P-C4' energy: -74.168 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -79.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -994.041881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.041881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.041881 (E_RNA) where: Base-Base interactions energy: -691.182 where: short stacking energy: -302.086 Base-Backbone interact. energy: -1.126 local terms energy: -301.734150 where: bonds (distance) C4'-P energy: -56.069 bonds (distance) P-C4' energy: -45.425 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -47.440 tors. eta vs tors. theta energy: -85.911 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: 421 Temperature: 1.200000 Total energy: -898.439576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.439576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.439576 (E_RNA) where: Base-Base interactions energy: -614.989 where: short stacking energy: -253.362 Base-Backbone interact. energy: -0.857 local terms energy: -282.593688 where: bonds (distance) C4'-P energy: -50.405 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -61.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -801.294012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.294012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.294012 (E_RNA) where: Base-Base interactions energy: -530.044 where: short stacking energy: -234.466 Base-Backbone interact. energy: 0.050 local terms energy: -271.300105 where: bonds (distance) C4'-P energy: -48.691 bonds (distance) P-C4' energy: -57.691 flat angles C4'-P-C4' energy: -66.685 flat angles P-C4'-P energy: -45.686 tors. eta vs tors. theta energy: -52.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -661.927195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.927195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.927195 (E_RNA) where: Base-Base interactions energy: -424.944 where: short stacking energy: -215.683 Base-Backbone interact. energy: -1.094 local terms energy: -235.889414 where: bonds (distance) C4'-P energy: -54.354 bonds (distance) P-C4' energy: -53.522 flat angles C4'-P-C4' energy: -49.347 flat angles P-C4'-P energy: -26.366 tors. eta vs tors. theta energy: -52.300 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: 421 Temperature: 1.350000 Total energy: -511.406442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.406442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.406442 (E_RNA) where: Base-Base interactions energy: -338.247 where: short stacking energy: -173.498 Base-Backbone interact. energy: -0.289 local terms energy: -172.870265 where: bonds (distance) C4'-P energy: -40.822 bonds (distance) P-C4' energy: -49.469 flat angles C4'-P-C4' energy: -35.831 flat angles P-C4'-P energy: -20.178 tors. eta vs tors. theta energy: -26.570 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: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1164.592627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.592627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.592627 (E_RNA) where: Base-Base interactions energy: -808.850 where: short stacking energy: -347.039 Base-Backbone interact. energy: -0.613 local terms energy: -355.129777 where: bonds (distance) C4'-P energy: -69.373 bonds (distance) P-C4' energy: -63.992 flat angles C4'-P-C4' energy: -76.448 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -95.312 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: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1120.732054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.732054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.732054 (E_RNA) where: Base-Base interactions energy: -779.721 where: short stacking energy: -354.349 Base-Backbone interact. energy: -2.022 local terms energy: -338.989246 where: bonds (distance) C4'-P energy: -59.451 bonds (distance) P-C4' energy: -60.304 flat angles C4'-P-C4' energy: -72.541 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -100.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1072.879251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.879251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.879251 (E_RNA) where: Base-Base interactions energy: -742.585 where: short stacking energy: -336.474 Base-Backbone interact. energy: -0.855 local terms energy: -329.439675 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -67.618 flat angles C4'-P-C4' energy: -62.480 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -94.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -992.659781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.659781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.659781 (E_RNA) where: Base-Base interactions energy: -696.636 where: short stacking energy: -303.846 Base-Backbone interact. energy: -0.227 local terms energy: -295.796802 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -55.367 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -76.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1013.675257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.675257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.675257 (E_RNA) where: Base-Base interactions energy: -699.440 where: short stacking energy: -314.583 Base-Backbone interact. energy: -1.904 local terms energy: -312.330732 where: bonds (distance) C4'-P energy: -42.754 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -65.577 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -89.146 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: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -949.587519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.587519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.587519 (E_RNA) where: Base-Base interactions energy: -659.174 where: short stacking energy: -300.845 Base-Backbone interact. energy: 1.863 local terms energy: -292.277155 where: bonds (distance) C4'-P energy: -51.849 bonds (distance) P-C4' energy: -51.415 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -43.646 tors. eta vs tors. theta energy: -78.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -904.691262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.691262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.691262 (E_RNA) where: Base-Base interactions energy: -648.178 where: short stacking energy: -271.939 Base-Backbone interact. energy: 4.372 local terms energy: -260.884819 where: bonds (distance) C4'-P energy: -51.459 bonds (distance) P-C4' energy: -53.352 flat angles C4'-P-C4' energy: -61.474 flat angles P-C4'-P energy: -36.166 tors. eta vs tors. theta energy: -58.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -794.315242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.315242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.315242 (E_RNA) where: Base-Base interactions energy: -539.233 where: short stacking energy: -232.070 Base-Backbone interact. energy: -0.769 local terms energy: -254.313182 where: bonds (distance) C4'-P energy: -56.276 bonds (distance) P-C4' energy: -57.356 flat angles C4'-P-C4' energy: -56.598 flat angles P-C4'-P energy: -32.403 tors. eta vs tors. theta energy: -51.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -641.627328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.627328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.627328 (E_RNA) where: Base-Base interactions energy: -432.066 where: short stacking energy: -188.807 Base-Backbone interact. energy: 0.810 local terms energy: -210.370989 where: bonds (distance) C4'-P energy: -58.109 bonds (distance) P-C4' energy: -47.575 flat angles C4'-P-C4' energy: -38.514 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -30.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -516.202365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.202365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.202365 (E_RNA) where: Base-Base interactions energy: -297.421 where: short stacking energy: -150.211 Base-Backbone interact. energy: -0.275 local terms energy: -218.506067 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -51.006 flat angles C4'-P-C4' energy: -59.858 flat angles P-C4'-P energy: -27.552 tors. eta vs tors. theta energy: -24.391 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: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1161.089834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.089834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.089834 (E_RNA) where: Base-Base interactions energy: -812.952 where: short stacking energy: -331.040 Base-Backbone interact. energy: -2.091 local terms energy: -346.047353 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -77.070 flat angles P-C4'-P energy: -53.866 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1130.593218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.593218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.593218 (E_RNA) where: Base-Base interactions energy: -780.933 where: short stacking energy: -344.834 Base-Backbone interact. energy: -2.113 local terms energy: -347.546899 where: bonds (distance) C4'-P energy: -61.151 bonds (distance) P-C4' energy: -69.549 flat angles C4'-P-C4' energy: -71.770 flat angles P-C4'-P energy: -47.023 tors. eta vs tors. theta energy: -98.053 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: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1082.111606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.111606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.111606 (E_RNA) where: Base-Base interactions energy: -736.488 where: short stacking energy: -332.779 Base-Backbone interact. energy: 0.135 local terms energy: -345.758893 where: bonds (distance) C4'-P energy: -66.615 bonds (distance) P-C4' energy: -55.710 flat angles C4'-P-C4' energy: -70.691 flat angles P-C4'-P energy: -55.658 tors. eta vs tors. theta energy: -97.085 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: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1029.199101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.199101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.199101 (E_RNA) where: Base-Base interactions energy: -722.590 where: short stacking energy: -321.309 Base-Backbone interact. energy: -0.602 local terms energy: -306.006951 where: bonds (distance) C4'-P energy: -60.613 bonds (distance) P-C4' energy: -47.904 flat angles C4'-P-C4' energy: -68.587 flat angles P-C4'-P energy: -43.302 tors. eta vs tors. theta energy: -85.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -986.143978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.143978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.143978 (E_RNA) where: Base-Base interactions energy: -682.724 where: short stacking energy: -307.277 Base-Backbone interact. energy: 1.143 local terms energy: -304.562959 where: bonds (distance) C4'-P energy: -49.263 bonds (distance) P-C4' energy: -60.165 flat angles C4'-P-C4' energy: -70.246 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: -89.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -958.269850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.269850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.269850 (E_RNA) where: Base-Base interactions energy: -649.299 where: short stacking energy: -289.399 Base-Backbone interact. energy: -0.551 local terms energy: -308.420726 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -58.516 flat angles C4'-P-C4' energy: -66.537 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: -78.110 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: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -887.288393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.288393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.288393 (E_RNA) where: Base-Base interactions energy: -609.127 where: short stacking energy: -256.169 Base-Backbone interact. energy: -2.347 local terms energy: -275.814371 where: bonds (distance) C4'-P energy: -45.069 bonds (distance) P-C4' energy: -59.316 flat angles C4'-P-C4' energy: -64.466 flat angles P-C4'-P energy: -40.414 tors. eta vs tors. theta energy: -66.549 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: 423 Temperature: 1.250000 Total energy: -828.553531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.553531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.553531 (E_RNA) where: Base-Base interactions energy: -555.810 where: short stacking energy: -246.890 Base-Backbone interact. energy: -0.849 local terms energy: -271.894358 where: bonds (distance) C4'-P energy: -62.981 bonds (distance) P-C4' energy: -47.859 flat angles C4'-P-C4' energy: -69.005 flat angles P-C4'-P energy: -29.237 tors. eta vs tors. theta energy: -62.813 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: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -630.872458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.872458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.872458 (E_RNA) where: Base-Base interactions energy: -393.562 where: short stacking energy: -189.436 Base-Backbone interact. energy: 0.067 local terms energy: -237.377288 where: bonds (distance) C4'-P energy: -55.064 bonds (distance) P-C4' energy: -64.058 flat angles C4'-P-C4' energy: -61.318 flat angles P-C4'-P energy: -27.796 tors. eta vs tors. theta energy: -29.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -491.851698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.851698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.851698 (E_RNA) where: Base-Base interactions energy: -306.428 where: short stacking energy: -166.457 Base-Backbone interact. energy: 0.360 local terms energy: -185.784098 where: bonds (distance) C4'-P energy: -40.625 bonds (distance) P-C4' energy: -55.632 flat angles C4'-P-C4' energy: -43.717 flat angles P-C4'-P energy: -23.677 tors. eta vs tors. theta energy: -22.133 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1162.418198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.418198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.418198 (E_RNA) where: Base-Base interactions energy: -807.203 where: short stacking energy: -369.958 Base-Backbone interact. energy: -1.298 local terms energy: -353.917846 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -67.699 flat angles C4'-P-C4' energy: -66.948 flat angles P-C4'-P energy: -53.229 tors. eta vs tors. theta energy: -105.443 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: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1132.674911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.674911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.674911 (E_RNA) where: Base-Base interactions energy: -804.741 where: short stacking energy: -329.580 Base-Backbone interact. energy: -2.392 local terms energy: -325.541599 where: bonds (distance) C4'-P energy: -59.164 bonds (distance) P-C4' energy: -53.056 flat angles C4'-P-C4' energy: -69.831 flat angles P-C4'-P energy: -50.873 tors. eta vs tors. theta energy: -92.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1041.152122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.152122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.152122 (E_RNA) where: Base-Base interactions energy: -712.557 where: short stacking energy: -307.153 Base-Backbone interact. energy: -3.234 local terms energy: -325.361496 where: bonds (distance) C4'-P energy: -61.775 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -69.493 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -75.996 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: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1046.225764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.225764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.225764 (E_RNA) where: Base-Base interactions energy: -729.869 where: short stacking energy: -332.551 Base-Backbone interact. energy: -0.941 local terms energy: -315.416302 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -65.303 flat angles P-C4'-P energy: -37.305 tors. eta vs tors. theta energy: -91.835 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: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -994.107408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.107408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.107408 (E_RNA) where: Base-Base interactions energy: -690.846 where: short stacking energy: -305.233 Base-Backbone interact. energy: -0.801 local terms energy: -302.460155 where: bonds (distance) C4'-P energy: -53.526 bonds (distance) P-C4' energy: -62.377 flat angles C4'-P-C4' energy: -58.138 flat angles P-C4'-P energy: -36.357 tors. eta vs tors. theta energy: -92.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -957.688213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.688213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.688213 (E_RNA) where: Base-Base interactions energy: -660.242 where: short stacking energy: -303.387 Base-Backbone interact. energy: -1.390 local terms energy: -296.055555 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -56.071 flat angles C4'-P-C4' energy: -61.053 flat angles P-C4'-P energy: -33.499 tors. eta vs tors. theta energy: -81.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -923.814407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.814407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.814407 (E_RNA) where: Base-Base interactions energy: -642.198 where: short stacking energy: -282.507 Base-Backbone interact. energy: -0.944 local terms energy: -280.672539 where: bonds (distance) C4'-P energy: -47.524 bonds (distance) P-C4' energy: -55.554 flat angles C4'-P-C4' energy: -65.981 flat angles P-C4'-P energy: -34.384 tors. eta vs tors. theta energy: -77.230 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: 424 Temperature: 1.250000 Total energy: -845.561037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.561037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.561037 (E_RNA) where: Base-Base interactions energy: -566.422 where: short stacking energy: -256.344 Base-Backbone interact. energy: -0.424 local terms energy: -278.714975 where: bonds (distance) C4'-P energy: -46.305 bonds (distance) P-C4' energy: -57.494 flat angles C4'-P-C4' energy: -66.660 flat angles P-C4'-P energy: -37.518 tors. eta vs tors. theta energy: -70.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -644.774451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.774451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.774451 (E_RNA) where: Base-Base interactions energy: -426.819 where: short stacking energy: -183.961 Base-Backbone interact. energy: 0.238 local terms energy: -218.193193 where: bonds (distance) C4'-P energy: -48.529 bonds (distance) P-C4' energy: -50.813 flat angles C4'-P-C4' energy: -55.055 flat angles P-C4'-P energy: -33.293 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: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -499.556920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.556920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.556920 (E_RNA) where: Base-Base interactions energy: -312.661 where: short stacking energy: -162.950 Base-Backbone interact. energy: 0.682 local terms energy: -187.578234 where: bonds (distance) C4'-P energy: -45.283 bonds (distance) P-C4' energy: -52.346 flat angles C4'-P-C4' energy: -32.042 flat angles P-C4'-P energy: -38.211 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1158.919385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.919385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.919385 (E_RNA) where: Base-Base interactions energy: -793.388 where: short stacking energy: -348.174 Base-Backbone interact. energy: 0.274 local terms energy: -365.805858 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -70.060 flat angles C4'-P-C4' energy: -74.113 flat angles P-C4'-P energy: -51.697 tors. eta vs tors. theta energy: -98.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1143.438064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.438064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.438064 (E_RNA) where: Base-Base interactions energy: -802.546 where: short stacking energy: -340.702 Base-Backbone interact. energy: -1.644 local terms energy: -339.247783 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -95.782 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: 3, replica: 4 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1047.180885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.180885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.180885 (E_RNA) where: Base-Base interactions energy: -736.383 where: short stacking energy: -325.638 Base-Backbone interact. energy: -1.357 local terms energy: -309.441208 where: bonds (distance) C4'-P energy: -51.651 bonds (distance) P-C4' energy: -59.525 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -41.688 tors. eta vs tors. theta energy: -87.445 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: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1032.126676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.126676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.126676 (E_RNA) where: Base-Base interactions energy: -713.099 where: short stacking energy: -328.051 Base-Backbone interact. energy: 0.112 local terms energy: -319.139609 where: bonds (distance) C4'-P energy: -52.082 bonds (distance) P-C4' energy: -55.731 flat angles C4'-P-C4' energy: -71.661 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -95.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -992.598332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.598332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.598332 (E_RNA) where: Base-Base interactions energy: -685.747 where: short stacking energy: -300.734 Base-Backbone interact. energy: -1.089 local terms energy: -305.762038 where: bonds (distance) C4'-P energy: -54.980 bonds (distance) P-C4' energy: -59.412 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -43.153 tors. eta vs tors. theta energy: -80.531 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: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -948.364798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.364798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.364798 (E_RNA) where: Base-Base interactions energy: -648.111 where: short stacking energy: -275.494 Base-Backbone interact. energy: -1.326 local terms energy: -298.927872 where: bonds (distance) C4'-P energy: -56.080 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -62.015 flat angles P-C4'-P energy: -39.127 tors. eta vs tors. theta energy: -83.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -901.951330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.951330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.951330 (E_RNA) where: Base-Base interactions energy: -620.982 where: short stacking energy: -270.775 Base-Backbone interact. energy: -1.356 local terms energy: -279.613874 where: bonds (distance) C4'-P energy: -51.080 bonds (distance) P-C4' energy: -52.508 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -37.460 tors. eta vs tors. theta energy: -78.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -849.139279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.139279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.139279 (E_RNA) where: Base-Base interactions energy: -568.233 where: short stacking energy: -270.950 Base-Backbone interact. energy: 1.069 local terms energy: -281.975734 where: bonds (distance) C4'-P energy: -49.195 bonds (distance) P-C4' energy: -62.277 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -45.414 tors. eta vs tors. theta energy: -57.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -672.039704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.039704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.039704 (E_RNA) where: Base-Base interactions energy: -433.622 where: short stacking energy: -196.496 Base-Backbone interact. energy: 0.591 local terms energy: -239.008708 where: bonds (distance) C4'-P energy: -56.605 bonds (distance) P-C4' energy: -50.751 flat angles C4'-P-C4' energy: -64.825 flat angles P-C4'-P energy: -24.334 tors. eta vs tors. theta energy: -42.494 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: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -532.020910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.020910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.020910 (E_RNA) where: Base-Base interactions energy: -324.970 where: short stacking energy: -145.337 Base-Backbone interact. energy: 3.669 local terms energy: -210.720033 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -56.233 flat angles C4'-P-C4' energy: -59.850 flat angles P-C4'-P energy: -22.334 tors. eta vs tors. theta energy: -18.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1156.526762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.526762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.526762 (E_RNA) where: Base-Base interactions energy: -817.588 where: short stacking energy: -348.947 Base-Backbone interact. energy: -1.151 local terms energy: -337.787508 where: bonds (distance) C4'-P energy: -66.725 bonds (distance) P-C4' energy: -56.732 flat angles C4'-P-C4' energy: -72.503 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -93.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1133.343444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.343444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.343444 (E_RNA) where: Base-Base interactions energy: -777.567 where: short stacking energy: -341.825 Base-Backbone interact. energy: -1.385 local terms energy: -354.391887 where: bonds (distance) C4'-P energy: -65.311 bonds (distance) P-C4' energy: -68.502 flat angles C4'-P-C4' energy: -77.307 flat angles P-C4'-P energy: -48.953 tors. eta vs tors. theta energy: -94.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1063.158823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.158823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.158823 (E_RNA) where: Base-Base interactions energy: -730.959 where: short stacking energy: -322.770 Base-Backbone interact. energy: -0.991 local terms energy: -331.208805 where: bonds (distance) C4'-P energy: -57.397 bonds (distance) P-C4' energy: -65.322 flat angles C4'-P-C4' energy: -76.183 flat angles P-C4'-P energy: -37.759 tors. eta vs tors. theta energy: -94.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1037.111340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.111340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.111340 (E_RNA) where: Base-Base interactions energy: -710.702 where: short stacking energy: -311.230 Base-Backbone interact. energy: -0.509 local terms energy: -325.900907 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -73.299 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: -92.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -963.041075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.041075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.041075 (E_RNA) where: Base-Base interactions energy: -671.394 where: short stacking energy: -271.409 Base-Backbone interact. energy: -0.978 local terms energy: -290.669942 where: bonds (distance) C4'-P energy: -60.666 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -31.932 tors. eta vs tors. theta energy: -65.365 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: 426 Temperature: 1.150000 Total energy: -914.110982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.110982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.110982 (E_RNA) where: Base-Base interactions energy: -634.186 where: short stacking energy: -270.005 Base-Backbone interact. energy: -1.442 local terms energy: -278.482433 where: bonds (distance) C4'-P energy: -44.360 bonds (distance) P-C4' energy: -62.635 flat angles C4'-P-C4' energy: -68.821 flat angles P-C4'-P energy: -36.036 tors. eta vs tors. theta energy: -66.631 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: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -853.854393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.854393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.854393 (E_RNA) where: Base-Base interactions energy: -579.944 where: short stacking energy: -253.950 Base-Backbone interact. energy: 0.791 local terms energy: -274.701572 where: bonds (distance) C4'-P energy: -48.743 bonds (distance) P-C4' energy: -58.805 flat angles C4'-P-C4' energy: -61.473 flat angles P-C4'-P energy: -32.997 tors. eta vs tors. theta energy: -72.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -831.611921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.611921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.611921 (E_RNA) where: Base-Base interactions energy: -580.456 where: short stacking energy: -245.633 Base-Backbone interact. energy: -0.321 local terms energy: -250.834513 where: bonds (distance) C4'-P energy: -50.525 bonds (distance) P-C4' energy: -36.448 flat angles C4'-P-C4' energy: -63.929 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -60.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -697.862860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.862860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.862860 (E_RNA) where: Base-Base interactions energy: -474.978 where: short stacking energy: -215.093 Base-Backbone interact. energy: -0.846 local terms energy: -222.039037 where: bonds (distance) C4'-P energy: -32.382 bonds (distance) P-C4' energy: -57.687 flat angles C4'-P-C4' energy: -53.959 flat angles P-C4'-P energy: -30.360 tors. eta vs tors. theta energy: -47.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -548.115604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.115604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.115604 (E_RNA) where: Base-Base interactions energy: -348.414 where: short stacking energy: -155.994 Base-Backbone interact. energy: -0.276 local terms energy: -199.426174 where: bonds (distance) C4'-P energy: -44.323 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -48.975 flat angles P-C4'-P energy: -21.392 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1157.832790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.832790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.832790 (E_RNA) where: Base-Base interactions energy: -818.574 where: short stacking energy: -354.720 Base-Backbone interact. energy: -2.599 local terms energy: -336.659250 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -55.149 flat angles C4'-P-C4' energy: -72.393 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -93.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1109.914307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.914307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.914307 (E_RNA) where: Base-Base interactions energy: -770.861 where: short stacking energy: -339.747 Base-Backbone interact. energy: -0.959 local terms energy: -338.094262 where: bonds (distance) C4'-P energy: -64.008 bonds (distance) P-C4' energy: -69.462 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -91.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1052.378760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.378760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.378760 (E_RNA) where: Base-Base interactions energy: -717.925 where: short stacking energy: -328.453 Base-Backbone interact. energy: -0.698 local terms energy: -333.755378 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -63.971 flat angles C4'-P-C4' energy: -75.292 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -91.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1045.566332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.566332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.566332 (E_RNA) where: Base-Base interactions energy: -727.613 where: short stacking energy: -328.306 Base-Backbone interact. energy: -0.944 local terms energy: -317.009906 where: bonds (distance) C4'-P energy: -58.078 bonds (distance) P-C4' energy: -63.300 flat angles C4'-P-C4' energy: -59.602 flat angles P-C4'-P energy: -45.399 tors. eta vs tors. theta energy: -90.631 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: 5, replica: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -977.857863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.857863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.857863 (E_RNA) where: Base-Base interactions energy: -679.645 where: short stacking energy: -314.395 Base-Backbone interact. energy: -1.780 local terms energy: -296.432729 where: bonds (distance) C4'-P energy: -53.785 bonds (distance) P-C4' energy: -56.007 flat angles C4'-P-C4' energy: -56.792 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -89.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -940.976408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.976408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.976408 (E_RNA) where: Base-Base interactions energy: -638.820 where: short stacking energy: -273.649 Base-Backbone interact. energy: -0.760 local terms energy: -301.396150 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -66.606 flat angles C4'-P-C4' energy: -66.640 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: -76.103 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: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -878.372897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.372897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.372897 (E_RNA) where: Base-Base interactions energy: -617.184 where: short stacking energy: -244.515 Base-Backbone interact. energy: 3.003 local terms energy: -264.192024 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -57.528 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -29.956 tors. eta vs tors. theta energy: -64.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -837.873162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.873162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.873162 (E_RNA) where: Base-Base interactions energy: -549.987 where: short stacking energy: -261.205 Base-Backbone interact. energy: 1.632 local terms energy: -289.518320 where: bonds (distance) C4'-P energy: -49.636 bonds (distance) P-C4' energy: -59.166 flat angles C4'-P-C4' energy: -67.013 flat angles P-C4'-P energy: -43.338 tors. eta vs tors. theta energy: -70.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -677.281429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.281429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.281429 (E_RNA) where: Base-Base interactions energy: -440.032 where: short stacking energy: -195.273 Base-Backbone interact. energy: -0.769 local terms energy: -236.480017 where: bonds (distance) C4'-P energy: -50.177 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -49.578 flat angles P-C4'-P energy: -32.455 tors. eta vs tors. theta energy: -44.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -509.834543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.834543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.834543 (E_RNA) where: Base-Base interactions energy: -312.852 where: short stacking energy: -161.519 Base-Backbone interact. energy: -0.747 local terms energy: -196.236099 where: bonds (distance) C4'-P energy: -43.237 bonds (distance) P-C4' energy: -52.802 flat angles C4'-P-C4' energy: -55.823 flat angles P-C4'-P energy: -26.710 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: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1169.348183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.348183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.348183 (E_RNA) where: Base-Base interactions energy: -806.379 where: short stacking energy: -354.489 Base-Backbone interact. energy: -2.061 local terms energy: -360.908052 where: bonds (distance) C4'-P energy: -64.753 bonds (distance) P-C4' energy: -68.896 flat angles C4'-P-C4' energy: -72.437 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -98.514 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: 428 Temperature: 0.950000 Total energy: -1124.629429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.629429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.629429 (E_RNA) where: Base-Base interactions energy: -776.976 where: short stacking energy: -333.384 Base-Backbone interact. energy: -0.107 local terms energy: -347.546721 where: bonds (distance) C4'-P energy: -63.990 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -51.364 tors. eta vs tors. theta energy: -97.423 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: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1038.993922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.993922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.993922 (E_RNA) where: Base-Base interactions energy: -707.466 where: short stacking energy: -321.087 Base-Backbone interact. energy: -1.687 local terms energy: -329.841380 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -43.068 tors. eta vs tors. theta energy: -80.339 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: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1023.437762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.437762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.437762 (E_RNA) where: Base-Base interactions energy: -711.442 where: short stacking energy: -319.340 Base-Backbone interact. energy: -1.265 local terms energy: -310.730708 where: bonds (distance) C4'-P energy: -51.014 bonds (distance) P-C4' energy: -57.339 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -89.359 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -965.223582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.223582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.223582 (E_RNA) where: Base-Base interactions energy: -656.847 where: short stacking energy: -293.928 Base-Backbone interact. energy: -1.485 local terms energy: -306.891882 where: bonds (distance) C4'-P energy: -52.890 bonds (distance) P-C4' energy: -62.420 flat angles C4'-P-C4' energy: -67.772 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: -78.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -951.518467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.518467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.518467 (E_RNA) where: Base-Base interactions energy: -654.714 where: short stacking energy: -284.007 Base-Backbone interact. energy: -1.527 local terms energy: -295.277664 where: bonds (distance) C4'-P energy: -47.759 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -67.657 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -74.557 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: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -882.403369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.403369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.403369 (E_RNA) where: Base-Base interactions energy: -611.065 where: short stacking energy: -268.408 Base-Backbone interact. energy: -1.145 local terms energy: -270.193239 where: bonds (distance) C4'-P energy: -44.511 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -42.916 tors. eta vs tors. theta energy: -56.126 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: 428 Temperature: 1.250000 Total energy: -810.167539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.167539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.167539 (E_RNA) where: Base-Base interactions energy: -544.446 where: short stacking energy: -252.536 Base-Backbone interact. energy: -0.524 local terms energy: -265.197049 where: bonds (distance) C4'-P energy: -63.647 bonds (distance) P-C4' energy: -45.706 flat angles C4'-P-C4' energy: -57.934 flat angles P-C4'-P energy: -36.121 tors. eta vs tors. theta energy: -61.788 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: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -661.830458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.830458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.830458 (E_RNA) where: Base-Base interactions energy: -448.058 where: short stacking energy: -206.710 Base-Backbone interact. energy: 0.323 local terms energy: -214.095167 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -50.178 flat angles C4'-P-C4' energy: -53.539 flat angles P-C4'-P energy: -28.948 tors. eta vs tors. theta energy: -26.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -548.057029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.057029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.057029 (E_RNA) where: Base-Base interactions energy: -330.422 where: short stacking energy: -162.175 Base-Backbone interact. energy: -0.791 local terms energy: -216.844443 where: bonds (distance) C4'-P energy: -62.939 bonds (distance) P-C4' energy: -44.409 flat angles C4'-P-C4' energy: -48.156 flat angles P-C4'-P energy: -41.136 tors. eta vs tors. theta energy: -20.205 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: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1157.500894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.500894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.500894 (E_RNA) where: Base-Base interactions energy: -815.408 where: short stacking energy: -333.048 Base-Backbone interact. energy: -1.509 local terms energy: -340.584402 where: bonds (distance) C4'-P energy: -63.389 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -71.614 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -90.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1149.499443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.499443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.499443 (E_RNA) where: Base-Base interactions energy: -803.349 where: short stacking energy: -362.149 Base-Backbone interact. energy: -0.689 local terms energy: -345.460666 where: bonds (distance) C4'-P energy: -54.873 bonds (distance) P-C4' energy: -65.024 flat angles C4'-P-C4' energy: -75.356 flat angles P-C4'-P energy: -51.052 tors. eta vs tors. theta energy: -99.155 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: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1048.994330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.994330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.994330 (E_RNA) where: Base-Base interactions energy: -723.193 where: short stacking energy: -314.289 Base-Backbone interact. energy: -1.057 local terms energy: -324.744934 where: bonds (distance) C4'-P energy: -54.490 bonds (distance) P-C4' energy: -61.991 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -88.038 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: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1023.382693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.382693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.382693 (E_RNA) where: Base-Base interactions energy: -700.935 where: short stacking energy: -333.805 Base-Backbone interact. energy: -0.481 local terms energy: -321.966457 where: bonds (distance) C4'-P energy: -58.715 bonds (distance) P-C4' energy: -58.007 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -38.775 tors. eta vs tors. theta energy: -98.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -970.105928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.105928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.105928 (E_RNA) where: Base-Base interactions energy: -665.087 where: short stacking energy: -304.004 Base-Backbone interact. energy: 0.691 local terms energy: -305.710050 where: bonds (distance) C4'-P energy: -50.768 bonds (distance) P-C4' energy: -58.991 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -77.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -969.856350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.856350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.856350 (E_RNA) where: Base-Base interactions energy: -658.398 where: short stacking energy: -279.426 Base-Backbone interact. energy: -0.688 local terms energy: -310.769787 where: bonds (distance) C4'-P energy: -62.194 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -66.108 flat angles P-C4'-P energy: -40.974 tors. eta vs tors. theta energy: -78.323 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: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -862.316703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.316703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.316703 (E_RNA) where: Base-Base interactions energy: -592.321 where: short stacking energy: -247.733 Base-Backbone interact. energy: -0.067 local terms energy: -269.929081 where: bonds (distance) C4'-P energy: -45.851 bonds (distance) P-C4' energy: -62.375 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -38.471 tors. eta vs tors. theta energy: -66.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -788.000031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.000031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.000031 (E_RNA) where: Base-Base interactions energy: -535.573 where: short stacking energy: -242.789 Base-Backbone interact. energy: -0.289 local terms energy: -252.137578 where: bonds (distance) C4'-P energy: -52.996 bonds (distance) P-C4' energy: -40.529 flat angles C4'-P-C4' energy: -63.257 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: -59.990 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: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -663.499585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.499585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.499585 (E_RNA) where: Base-Base interactions energy: -439.414 where: short stacking energy: -220.022 Base-Backbone interact. energy: 1.536 local terms energy: -225.621602 where: bonds (distance) C4'-P energy: -50.611 bonds (distance) P-C4' energy: -52.923 flat angles C4'-P-C4' energy: -52.768 flat angles P-C4'-P energy: -28.863 tors. eta vs tors. theta energy: -40.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -553.022246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.022246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.022246 (E_RNA) where: Base-Base interactions energy: -322.792 where: short stacking energy: -174.039 Base-Backbone interact. energy: -1.972 local terms energy: -228.257744 where: bonds (distance) C4'-P energy: -47.354 bonds (distance) P-C4' energy: -46.354 flat angles C4'-P-C4' energy: -56.815 flat angles P-C4'-P energy: -41.059 tors. eta vs tors. theta energy: -36.676 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: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1173.190488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.190488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.190488 (E_RNA) where: Base-Base interactions energy: -817.526 where: short stacking energy: -347.899 Base-Backbone interact. energy: -2.640 local terms energy: -353.023935 where: bonds (distance) C4'-P energy: -63.581 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -51.742 tors. eta vs tors. theta energy: -99.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1132.056766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.056766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.056766 (E_RNA) where: Base-Base interactions energy: -788.044 where: short stacking energy: -351.855 Base-Backbone interact. energy: -0.022 local terms energy: -343.989994 where: bonds (distance) C4'-P energy: -58.462 bonds (distance) P-C4' energy: -66.782 flat angles C4'-P-C4' energy: -68.124 flat angles P-C4'-P energy: -49.319 tors. eta vs tors. theta energy: -101.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1058.264537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.264537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.264537 (E_RNA) where: Base-Base interactions energy: -728.385 where: short stacking energy: -331.125 Base-Backbone interact. energy: -1.710 local terms energy: -328.169366 where: bonds (distance) C4'-P energy: -66.285 bonds (distance) P-C4' energy: -60.260 flat angles C4'-P-C4' energy: -65.347 flat angles P-C4'-P energy: -50.654 tors. eta vs tors. theta energy: -85.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1033.406463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.406463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.406463 (E_RNA) where: Base-Base interactions energy: -709.085 where: short stacking energy: -312.180 Base-Backbone interact. energy: 2.185 local terms energy: -326.505877 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -53.118 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -87.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -961.139845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.139845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.139845 (E_RNA) where: Base-Base interactions energy: -667.669 where: short stacking energy: -286.857 Base-Backbone interact. energy: -1.663 local terms energy: -291.808127 where: bonds (distance) C4'-P energy: -51.831 bonds (distance) P-C4' energy: -63.960 flat angles C4'-P-C4' energy: -62.990 flat angles P-C4'-P energy: -34.517 tors. eta vs tors. theta energy: -78.510 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: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -937.021816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.021816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.021816 (E_RNA) where: Base-Base interactions energy: -636.656 where: short stacking energy: -282.495 Base-Backbone interact. energy: 2.428 local terms energy: -302.793828 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -42.344 tors. eta vs tors. theta energy: -67.271 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: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -860.022522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.022522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.022522 (E_RNA) where: Base-Base interactions energy: -561.890 where: short stacking energy: -265.001 Base-Backbone interact. energy: -0.933 local terms energy: -297.200414 where: bonds (distance) C4'-P energy: -49.137 bonds (distance) P-C4' energy: -67.641 flat angles C4'-P-C4' energy: -64.996 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -71.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -850.563295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.563295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.563295 (E_RNA) where: Base-Base interactions energy: -593.763 where: short stacking energy: -247.941 Base-Backbone interact. energy: -1.468 local terms energy: -255.332791 where: bonds (distance) C4'-P energy: -44.531 bonds (distance) P-C4' energy: -54.841 flat angles C4'-P-C4' energy: -61.327 flat angles P-C4'-P energy: -33.290 tors. eta vs tors. theta energy: -61.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -665.230603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.230603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.230603 (E_RNA) where: Base-Base interactions energy: -450.970 where: short stacking energy: -193.374 Base-Backbone interact. energy: -1.036 local terms energy: -213.225356 where: bonds (distance) C4'-P energy: -48.181 bonds (distance) P-C4' energy: -49.964 flat angles C4'-P-C4' energy: -55.323 flat angles P-C4'-P energy: -29.902 tors. eta vs tors. theta energy: -29.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -538.151215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.151215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.151215 (E_RNA) where: Base-Base interactions energy: -338.230 where: short stacking energy: -165.769 Base-Backbone interact. energy: -0.885 local terms energy: -199.036569 where: bonds (distance) C4'-P energy: -40.308 bonds (distance) P-C4' energy: -57.977 flat angles C4'-P-C4' energy: -44.029 flat angles P-C4'-P energy: -23.100 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: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1186.505108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.505108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.505108 (E_RNA) where: Base-Base interactions energy: -823.444 where: short stacking energy: -362.764 Base-Backbone interact. energy: 0.154 local terms energy: -363.215383 where: bonds (distance) C4'-P energy: -71.997 bonds (distance) P-C4' energy: -66.046 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -48.669 tors. eta vs tors. theta energy: -97.851 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: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1089.075776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.075776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.075776 (E_RNA) where: Base-Base interactions energy: -753.418 where: short stacking energy: -330.388 Base-Backbone interact. energy: -1.081 local terms energy: -334.576504 where: bonds (distance) C4'-P energy: -53.477 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -75.578 flat angles P-C4'-P energy: -46.700 tors. eta vs tors. theta energy: -93.057 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: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1120.104125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.104125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.104125 (E_RNA) where: Base-Base interactions energy: -772.737 where: short stacking energy: -356.372 Base-Backbone interact. energy: 0.076 local terms energy: -347.443484 where: bonds (distance) C4'-P energy: -60.028 bonds (distance) P-C4' energy: -64.817 flat angles C4'-P-C4' energy: -76.846 flat angles P-C4'-P energy: -45.929 tors. eta vs tors. theta energy: -99.823 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: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1036.576849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.576849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.576849 (E_RNA) where: Base-Base interactions energy: -710.097 where: short stacking energy: -324.019 Base-Backbone interact. energy: -0.765 local terms energy: -325.715178 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -64.083 flat angles C4'-P-C4' energy: -67.536 flat angles P-C4'-P energy: -39.739 tors. eta vs tors. theta energy: -92.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -970.062658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.062658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.062658 (E_RNA) where: Base-Base interactions energy: -687.827 where: short stacking energy: -278.722 Base-Backbone interact. energy: -0.718 local terms energy: -281.517089 where: bonds (distance) C4'-P energy: -46.185 bonds (distance) P-C4' energy: -54.005 flat angles C4'-P-C4' energy: -67.816 flat angles P-C4'-P energy: -38.176 tors. eta vs tors. theta energy: -75.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -940.521289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.521289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.521289 (E_RNA) where: Base-Base interactions energy: -666.729 where: short stacking energy: -280.145 Base-Backbone interact. energy: -1.796 local terms energy: -271.996094 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -43.975 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: -71.194 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: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -906.911473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.911473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.911473 (E_RNA) where: Base-Base interactions energy: -640.089 where: short stacking energy: -274.010 Base-Backbone interact. energy: -0.628 local terms energy: -266.194059 where: bonds (distance) C4'-P energy: -48.522 bonds (distance) P-C4' energy: -52.510 flat angles C4'-P-C4' energy: -62.566 flat angles P-C4'-P energy: -35.047 tors. eta vs tors. theta energy: -67.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -792.476334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.476334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.476334 (E_RNA) where: Base-Base interactions energy: -528.227 where: short stacking energy: -238.912 Base-Backbone interact. energy: 5.195 local terms energy: -269.445019 where: bonds (distance) C4'-P energy: -58.480 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -60.906 flat angles P-C4'-P energy: -29.646 tors. eta vs tors. theta energy: -56.671 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: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -648.624260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.624260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.624260 (E_RNA) where: Base-Base interactions energy: -407.376 where: short stacking energy: -183.479 Base-Backbone interact. energy: -0.375 local terms energy: -240.873189 where: bonds (distance) C4'-P energy: -52.619 bonds (distance) P-C4' energy: -49.592 flat angles C4'-P-C4' energy: -60.831 flat angles P-C4'-P energy: -44.083 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: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -536.552252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.552252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.552252 (E_RNA) where: Base-Base interactions energy: -347.337 where: short stacking energy: -160.991 Base-Backbone interact. energy: -1.516 local terms energy: -187.698753 where: bonds (distance) C4'-P energy: -54.865 bonds (distance) P-C4' energy: -43.832 flat angles C4'-P-C4' energy: -40.537 flat angles P-C4'-P energy: -28.045 tors. eta vs tors. theta energy: -20.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1143.286108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.286108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.286108 (E_RNA) where: Base-Base interactions energy: -804.574 where: short stacking energy: -342.265 Base-Backbone interact. energy: -2.744 local terms energy: -335.968368 where: bonds (distance) C4'-P energy: -71.730 bonds (distance) P-C4' energy: -63.005 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -38.737 tors. eta vs tors. theta energy: -96.016 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: 432 Temperature: 0.950000 Total energy: -1120.079596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.079596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.079596 (E_RNA) where: Base-Base interactions energy: -764.644 where: short stacking energy: -343.887 Base-Backbone interact. energy: -2.037 local terms energy: -353.398916 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -79.274 flat angles P-C4'-P energy: -49.218 tors. eta vs tors. theta energy: -98.971 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: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1105.426708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.426708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.426708 (E_RNA) where: Base-Base interactions energy: -777.214 where: short stacking energy: -347.789 Base-Backbone interact. energy: -1.123 local terms energy: -327.090379 where: bonds (distance) C4'-P energy: -62.161 bonds (distance) P-C4' energy: -61.154 flat angles C4'-P-C4' energy: -68.171 flat angles P-C4'-P energy: -34.936 tors. eta vs tors. theta energy: -100.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1031.919257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.919257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.919257 (E_RNA) where: Base-Base interactions energy: -724.480 where: short stacking energy: -334.048 Base-Backbone interact. energy: -0.868 local terms energy: -306.571421 where: bonds (distance) C4'-P energy: -44.940 bonds (distance) P-C4' energy: -59.140 flat angles C4'-P-C4' energy: -68.988 flat angles P-C4'-P energy: -41.856 tors. eta vs tors. theta energy: -91.648 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: 432 Temperature: 1.100000 Total energy: -962.787902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.787902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.787902 (E_RNA) where: Base-Base interactions energy: -666.418 where: short stacking energy: -286.563 Base-Backbone interact. energy: -1.618 local terms energy: -294.751380 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -52.719 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -45.552 tors. eta vs tors. theta energy: -70.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -908.496831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.496831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.496831 (E_RNA) where: Base-Base interactions energy: -606.569 where: short stacking energy: -259.731 Base-Backbone interact. energy: -0.696 local terms energy: -301.231264 where: bonds (distance) C4'-P energy: -55.604 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -62.693 flat angles P-C4'-P energy: -47.992 tors. eta vs tors. theta energy: -67.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -880.468064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.468064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.468064 (E_RNA) where: Base-Base interactions energy: -595.424 where: short stacking energy: -253.687 Base-Backbone interact. energy: -1.624 local terms energy: -283.420346 where: bonds (distance) C4'-P energy: -57.462 bonds (distance) P-C4' energy: -53.797 flat angles C4'-P-C4' energy: -62.119 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -64.308 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: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -770.565890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.565890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.565890 (E_RNA) where: Base-Base interactions energy: -526.609 where: short stacking energy: -236.464 Base-Backbone interact. energy: 1.271 local terms energy: -245.227847 where: bonds (distance) C4'-P energy: -58.918 bonds (distance) P-C4' energy: -50.843 flat angles C4'-P-C4' energy: -54.506 flat angles P-C4'-P energy: -26.780 tors. eta vs tors. theta energy: -54.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -675.363812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.363812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.363812 (E_RNA) where: Base-Base interactions energy: -447.569 where: short stacking energy: -195.695 Base-Backbone interact. energy: -0.121 local terms energy: -227.673586 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -42.384 flat angles C4'-P-C4' energy: -58.692 flat angles P-C4'-P energy: -41.458 tors. eta vs tors. theta energy: -33.089 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: 432 Temperature: 1.350000 Total energy: -545.369974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.369974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.369974 (E_RNA) where: Base-Base interactions energy: -317.976 where: short stacking energy: -147.402 Base-Backbone interact. energy: -0.714 local terms energy: -226.680436 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -47.866 flat angles C4'-P-C4' energy: -41.066 flat angles P-C4'-P energy: -40.003 tors. eta vs tors. theta energy: -31.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1156.849254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.849254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.849254 (E_RNA) where: Base-Base interactions energy: -821.127 where: short stacking energy: -344.294 Base-Backbone interact. energy: -1.876 local terms energy: -333.846312 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -65.557 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -44.066 tors. eta vs tors. theta energy: -90.461 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: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1129.341097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.341097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.341097 (E_RNA) where: Base-Base interactions energy: -778.606 where: short stacking energy: -350.103 Base-Backbone interact. energy: -1.760 local terms energy: -348.974957 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -94.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1090.709880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.709880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.709880 (E_RNA) where: Base-Base interactions energy: -766.032 where: short stacking energy: -344.200 Base-Backbone interact. energy: -0.653 local terms energy: -324.024402 where: bonds (distance) C4'-P energy: -65.552 bonds (distance) P-C4' energy: -42.685 flat angles C4'-P-C4' energy: -66.187 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -99.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1046.919808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.919808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.919808 (E_RNA) where: Base-Base interactions energy: -716.581 where: short stacking energy: -316.584 Base-Backbone interact. energy: -1.218 local terms energy: -329.120047 where: bonds (distance) C4'-P energy: -65.035 bonds (distance) P-C4' energy: -54.954 flat angles C4'-P-C4' energy: -72.531 flat angles P-C4'-P energy: -47.307 tors. eta vs tors. theta energy: -89.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -960.563965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.563965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.563965 (E_RNA) where: Base-Base interactions energy: -655.012 where: short stacking energy: -288.406 Base-Backbone interact. energy: 0.047 local terms energy: -305.598472 where: bonds (distance) C4'-P energy: -63.676 bonds (distance) P-C4' energy: -56.262 flat angles C4'-P-C4' energy: -69.385 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -72.747 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: 433 Temperature: 1.150000 Total energy: -888.439668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.439668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.439668 (E_RNA) where: Base-Base interactions energy: -629.837 where: short stacking energy: -264.793 Base-Backbone interact. energy: -0.809 local terms energy: -257.793608 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -59.971 flat angles P-C4'-P energy: -26.249 tors. eta vs tors. theta energy: -65.913 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: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -896.988055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.988055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.988055 (E_RNA) where: Base-Base interactions energy: -617.466 where: short stacking energy: -270.410 Base-Backbone interact. energy: 0.105 local terms energy: -279.626984 where: bonds (distance) C4'-P energy: -58.150 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -62.296 flat angles P-C4'-P energy: -31.386 tors. eta vs tors. theta energy: -67.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -798.716171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.716171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.716171 (E_RNA) where: Base-Base interactions energy: -537.788 where: short stacking energy: -249.769 Base-Backbone interact. energy: -1.577 local terms energy: -259.350663 where: bonds (distance) C4'-P energy: -48.230 bonds (distance) P-C4' energy: -46.450 flat angles C4'-P-C4' energy: -58.836 flat angles P-C4'-P energy: -36.784 tors. eta vs tors. theta energy: -69.051 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: 433 Temperature: 1.300000 Total energy: -670.295641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.295641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.295641 (E_RNA) where: Base-Base interactions energy: -445.058 where: short stacking energy: -191.975 Base-Backbone interact. energy: 2.403 local terms energy: -227.639999 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -53.008 flat angles C4'-P-C4' energy: -48.108 flat angles P-C4'-P energy: -26.731 tors. eta vs tors. theta energy: -41.839 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: 433 Temperature: 1.350000 Total energy: -499.636298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.636298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.636298 (E_RNA) where: Base-Base interactions energy: -299.520 where: short stacking energy: -152.026 Base-Backbone interact. energy: -0.445 local terms energy: -199.671255 where: bonds (distance) C4'-P energy: -45.369 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -51.816 flat angles P-C4'-P energy: -26.941 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1146.113459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.113459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.113459 (E_RNA) where: Base-Base interactions energy: -794.202 where: short stacking energy: -351.064 Base-Backbone interact. energy: -1.260 local terms energy: -350.651353 where: bonds (distance) C4'-P energy: -66.663 bonds (distance) P-C4' energy: -72.522 flat angles C4'-P-C4' energy: -71.868 flat angles P-C4'-P energy: -44.153 tors. eta vs tors. theta energy: -95.445 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: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1147.307984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.307984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.307984 (E_RNA) where: Base-Base interactions energy: -803.864 where: short stacking energy: -342.940 Base-Backbone interact. energy: -1.198 local terms energy: -342.245861 where: bonds (distance) C4'-P energy: -60.541 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -49.587 tors. eta vs tors. theta energy: -88.837 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: 434 Temperature: 1.000000 Total energy: -1077.976530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.976530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.976530 (E_RNA) where: Base-Base interactions energy: -725.008 where: short stacking energy: -321.716 Base-Backbone interact. energy: -1.271 local terms energy: -351.697548 where: bonds (distance) C4'-P energy: -67.371 bonds (distance) P-C4' energy: -69.412 flat angles C4'-P-C4' energy: -68.152 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -95.028 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: 434 Temperature: 1.050000 Total energy: -1044.529594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.529594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.529594 (E_RNA) where: Base-Base interactions energy: -726.528 where: short stacking energy: -323.876 Base-Backbone interact. energy: -1.072 local terms energy: -316.929062 where: bonds (distance) C4'-P energy: -48.117 bonds (distance) P-C4' energy: -56.265 flat angles C4'-P-C4' energy: -71.110 flat angles P-C4'-P energy: -39.868 tors. eta vs tors. theta energy: -101.568 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: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -966.330095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.330095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.330095 (E_RNA) where: Base-Base interactions energy: -667.589 where: short stacking energy: -294.767 Base-Backbone interact. energy: -0.402 local terms energy: -298.338925 where: bonds (distance) C4'-P energy: -54.628 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -72.423 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -74.788 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: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -891.463831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.463831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.463831 (E_RNA) where: Base-Base interactions energy: -615.260 where: short stacking energy: -260.267 Base-Backbone interact. energy: -1.768 local terms energy: -274.435271 where: bonds (distance) C4'-P energy: -57.607 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -58.221 flat angles P-C4'-P energy: -36.356 tors. eta vs tors. theta energy: -60.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -895.876444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.876444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.876444 (E_RNA) where: Base-Base interactions energy: -627.545 where: short stacking energy: -270.272 Base-Backbone interact. energy: 0.166 local terms energy: -268.497589 where: bonds (distance) C4'-P energy: -45.267 bonds (distance) P-C4' energy: -54.270 flat angles C4'-P-C4' energy: -58.747 flat angles P-C4'-P energy: -38.426 tors. eta vs tors. theta energy: -71.788 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: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -848.389518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.389518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.389518 (E_RNA) where: Base-Base interactions energy: -586.617 where: short stacking energy: -264.126 Base-Backbone interact. energy: -0.549 local terms energy: -261.223839 where: bonds (distance) C4'-P energy: -58.204 bonds (distance) P-C4' energy: -50.294 flat angles C4'-P-C4' energy: -50.646 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -65.171 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: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -657.258448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.258448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.258448 (E_RNA) where: Base-Base interactions energy: -442.502 where: short stacking energy: -199.503 Base-Backbone interact. energy: -0.096 local terms energy: -214.660513 where: bonds (distance) C4'-P energy: -46.845 bonds (distance) P-C4' energy: -56.120 flat angles C4'-P-C4' energy: -41.479 flat angles P-C4'-P energy: -30.840 tors. eta vs tors. theta energy: -39.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -496.264743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.264743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.264743 (E_RNA) where: Base-Base interactions energy: -293.529 where: short stacking energy: -126.112 Base-Backbone interact. energy: 5.134 local terms energy: -207.869135 where: bonds (distance) C4'-P energy: -55.035 bonds (distance) P-C4' energy: -51.667 flat angles C4'-P-C4' energy: -53.892 flat angles P-C4'-P energy: -33.334 tors. eta vs tors. theta energy: -13.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1137.586811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.586811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.586811 (E_RNA) where: Base-Base interactions energy: -785.507 where: short stacking energy: -335.622 Base-Backbone interact. energy: -0.986 local terms energy: -351.093495 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -65.838 flat angles C4'-P-C4' energy: -75.763 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -98.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1149.389241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.389241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.389241 (E_RNA) where: Base-Base interactions energy: -813.378 where: short stacking energy: -362.518 Base-Backbone interact. energy: -1.265 local terms energy: -334.746649 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -61.973 flat angles C4'-P-C4' energy: -72.082 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -91.343 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: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1062.186267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.186267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.186267 (E_RNA) where: Base-Base interactions energy: -734.418 where: short stacking energy: -321.467 Base-Backbone interact. energy: -1.436 local terms energy: -326.331692 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -67.925 flat angles P-C4'-P energy: -37.987 tors. eta vs tors. theta energy: -93.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1039.894810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.894810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.894810 (E_RNA) where: Base-Base interactions energy: -710.219 where: short stacking energy: -322.054 Base-Backbone interact. energy: 0.162 local terms energy: -329.837624 where: bonds (distance) C4'-P energy: -63.443 bonds (distance) P-C4' energy: -57.941 flat angles C4'-P-C4' energy: -66.882 flat angles P-C4'-P energy: -48.231 tors. eta vs tors. theta energy: -93.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -956.221570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.221570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.221570 (E_RNA) where: Base-Base interactions energy: -658.831 where: short stacking energy: -284.834 Base-Backbone interact. energy: -0.374 local terms energy: -297.016095 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -53.947 flat angles C4'-P-C4' energy: -63.984 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -77.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -913.336011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.336011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.336011 (E_RNA) where: Base-Base interactions energy: -624.174 where: short stacking energy: -276.399 Base-Backbone interact. energy: 2.227 local terms energy: -291.389649 where: bonds (distance) C4'-P energy: -56.569 bonds (distance) P-C4' energy: -59.341 flat angles C4'-P-C4' energy: -70.285 flat angles P-C4'-P energy: -40.982 tors. eta vs tors. theta energy: -64.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -848.594493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.594493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.594493 (E_RNA) where: Base-Base interactions energy: -588.456 where: short stacking energy: -243.345 Base-Backbone interact. energy: 0.059 local terms energy: -260.196822 where: bonds (distance) C4'-P energy: -49.974 bonds (distance) P-C4' energy: -60.282 flat angles C4'-P-C4' energy: -61.599 flat angles P-C4'-P energy: -31.390 tors. eta vs tors. theta energy: -56.951 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: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -868.023872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.023872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.023872 (E_RNA) where: Base-Base interactions energy: -586.996 where: short stacking energy: -265.232 Base-Backbone interact. energy: -0.356 local terms energy: -280.672403 where: bonds (distance) C4'-P energy: -49.051 bonds (distance) P-C4' energy: -57.379 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -68.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -668.422593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.422593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.422593 (E_RNA) where: Base-Base interactions energy: -453.121 where: short stacking energy: -208.760 Base-Backbone interact. energy: -0.700 local terms energy: -214.602085 where: bonds (distance) C4'-P energy: -40.649 bonds (distance) P-C4' energy: -60.417 flat angles C4'-P-C4' energy: -50.019 flat angles P-C4'-P energy: -25.478 tors. eta vs tors. theta energy: -38.038 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: 435 Temperature: 1.350000 Total energy: -503.746658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.746658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.746658 (E_RNA) where: Base-Base interactions energy: -293.963 where: short stacking energy: -131.559 Base-Backbone interact. energy: -1.431 local terms energy: -208.352439 where: bonds (distance) C4'-P energy: -57.939 bonds (distance) P-C4' energy: -46.713 flat angles C4'-P-C4' energy: -45.587 flat angles P-C4'-P energy: -38.739 tors. eta vs tors. theta energy: -19.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1135.960831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.960831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.960831 (E_RNA) where: Base-Base interactions energy: -785.977 where: short stacking energy: -341.596 Base-Backbone interact. energy: -1.597 local terms energy: -348.386261 where: bonds (distance) C4'-P energy: -56.382 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -96.704 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: 2, replica: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1124.408999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.408999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.408999 (E_RNA) where: Base-Base interactions energy: -804.630 where: short stacking energy: -344.953 Base-Backbone interact. energy: -2.706 local terms energy: -317.073014 where: bonds (distance) C4'-P energy: -56.838 bonds (distance) P-C4' energy: -57.224 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -41.956 tors. eta vs tors. theta energy: -91.294 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: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1063.766977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.766977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.766977 (E_RNA) where: Base-Base interactions energy: -725.911 where: short stacking energy: -326.998 Base-Backbone interact. energy: -1.552 local terms energy: -336.304710 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -67.592 flat angles P-C4'-P energy: -51.099 tors. eta vs tors. theta energy: -89.782 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: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1021.624351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.624351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.624351 (E_RNA) where: Base-Base interactions energy: -691.112 where: short stacking energy: -320.110 Base-Backbone interact. energy: -0.736 local terms energy: -329.776418 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -72.860 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: -90.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -955.717378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.717378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.717378 (E_RNA) where: Base-Base interactions energy: -642.366 where: short stacking energy: -278.817 Base-Backbone interact. energy: -0.122 local terms energy: -313.229290 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -54.983 flat angles C4'-P-C4' energy: -73.153 flat angles P-C4'-P energy: -43.318 tors. eta vs tors. theta energy: -76.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -949.093246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.093246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.093246 (E_RNA) where: Base-Base interactions energy: -663.388 where: short stacking energy: -287.296 Base-Backbone interact. energy: -1.495 local terms energy: -284.210695 where: bonds (distance) C4'-P energy: -58.744 bonds (distance) P-C4' energy: -46.871 flat angles C4'-P-C4' energy: -64.024 flat angles P-C4'-P energy: -31.190 tors. eta vs tors. theta energy: -83.382 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: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -898.346343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.346343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.346343 (E_RNA) where: Base-Base interactions energy: -618.617 where: short stacking energy: -272.857 Base-Backbone interact. energy: 1.901 local terms energy: -281.630198 where: bonds (distance) C4'-P energy: -59.638 bonds (distance) P-C4' energy: -53.991 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: -77.631 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: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -878.911231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.911231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.911231 (E_RNA) where: Base-Base interactions energy: -624.825 where: short stacking energy: -267.852 Base-Backbone interact. energy: -0.457 local terms energy: -253.629441 where: bonds (distance) C4'-P energy: -53.735 bonds (distance) P-C4' energy: -52.235 flat angles C4'-P-C4' energy: -56.236 flat angles P-C4'-P energy: -27.171 tors. eta vs tors. theta energy: -64.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -710.973073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.973073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.973073 (E_RNA) where: Base-Base interactions energy: -455.546 where: short stacking energy: -198.295 Base-Backbone interact. energy: 0.002 local terms energy: -255.429288 where: bonds (distance) C4'-P energy: -52.438 bonds (distance) P-C4' energy: -56.478 flat angles C4'-P-C4' energy: -63.899 flat angles P-C4'-P energy: -38.188 tors. eta vs tors. theta energy: -44.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -527.169075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.169075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.169075 (E_RNA) where: Base-Base interactions energy: -327.688 where: short stacking energy: -169.717 Base-Backbone interact. energy: -0.275 local terms energy: -199.205640 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -55.123 flat angles C4'-P-C4' energy: -37.375 flat angles P-C4'-P energy: -29.668 tors. eta vs tors. theta energy: -26.828 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: 437 Temperature: 0.900000 Total energy: -1142.732603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.732603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.732603 (E_RNA) where: Base-Base interactions energy: -787.587 where: short stacking energy: -353.230 Base-Backbone interact. energy: -1.185 local terms energy: -353.960063 where: bonds (distance) C4'-P energy: -50.470 bonds (distance) P-C4' energy: -69.620 flat angles C4'-P-C4' energy: -75.255 flat angles P-C4'-P energy: -55.485 tors. eta vs tors. theta energy: -103.129 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: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1138.179939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.179939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.179939 (E_RNA) where: Base-Base interactions energy: -789.406 where: short stacking energy: -335.679 Base-Backbone interact. energy: -1.788 local terms energy: -346.986033 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -60.874 flat angles C4'-P-C4' energy: -70.567 flat angles P-C4'-P energy: -53.218 tors. eta vs tors. theta energy: -95.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1072.414419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.414419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.414419 (E_RNA) where: Base-Base interactions energy: -744.551 where: short stacking energy: -340.164 Base-Backbone interact. energy: 2.767 local terms energy: -330.630588 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -61.799 flat angles P-C4'-P energy: -47.016 tors. eta vs tors. theta energy: -97.744 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: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -981.392984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.392984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.392984 (E_RNA) where: Base-Base interactions energy: -668.317 where: short stacking energy: -305.966 Base-Backbone interact. energy: -1.632 local terms energy: -311.443736 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -59.201 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -30.446 tors. eta vs tors. theta energy: -90.190 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: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1006.763354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.763354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.763354 (E_RNA) where: Base-Base interactions energy: -692.272 where: short stacking energy: -298.405 Base-Backbone interact. energy: -1.199 local terms energy: -313.293067 where: bonds (distance) C4'-P energy: -58.474 bonds (distance) P-C4' energy: -50.443 flat angles C4'-P-C4' energy: -67.623 flat angles P-C4'-P energy: -52.034 tors. eta vs tors. theta energy: -84.720 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: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -927.959000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.959000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.959000 (E_RNA) where: Base-Base interactions energy: -630.777 where: short stacking energy: -260.382 Base-Backbone interact. energy: -0.608 local terms energy: -296.573518 where: bonds (distance) C4'-P energy: -62.893 bonds (distance) P-C4' energy: -55.460 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -40.083 tors. eta vs tors. theta energy: -69.896 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: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -909.199170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.199170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.199170 (E_RNA) where: Base-Base interactions energy: -623.797 where: short stacking energy: -273.371 Base-Backbone interact. energy: -0.237 local terms energy: -285.164691 where: bonds (distance) C4'-P energy: -51.210 bonds (distance) P-C4' energy: -62.778 flat angles C4'-P-C4' energy: -65.536 flat angles P-C4'-P energy: -36.929 tors. eta vs tors. theta energy: -68.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -883.675934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.675934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.675934 (E_RNA) where: Base-Base interactions energy: -621.705 where: short stacking energy: -258.741 Base-Backbone interact. energy: -0.442 local terms energy: -261.529140 where: bonds (distance) C4'-P energy: -53.610 bonds (distance) P-C4' energy: -43.442 flat angles C4'-P-C4' energy: -52.577 flat angles P-C4'-P energy: -44.382 tors. eta vs tors. theta energy: -67.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -650.872330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.872330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.872330 (E_RNA) where: Base-Base interactions energy: -425.359 where: short stacking energy: -205.688 Base-Backbone interact. energy: -0.207 local terms energy: -225.305653 where: bonds (distance) C4'-P energy: -55.971 bonds (distance) P-C4' energy: -51.254 flat angles C4'-P-C4' energy: -53.384 flat angles P-C4'-P energy: -35.180 tors. eta vs tors. theta energy: -29.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -526.881293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.881293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.881293 (E_RNA) where: Base-Base interactions energy: -310.566 where: short stacking energy: -149.946 Base-Backbone interact. energy: -2.614 local terms energy: -213.701831 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -48.501 flat angles P-C4'-P energy: -32.013 tors. eta vs tors. theta energy: -12.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1133.894111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.894111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.894111 (E_RNA) where: Base-Base interactions energy: -791.245 where: short stacking energy: -351.121 Base-Backbone interact. energy: -1.258 local terms energy: -341.391364 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: -97.911 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: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1107.370173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.370173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.370173 (E_RNA) where: Base-Base interactions energy: -773.752 where: short stacking energy: -337.589 Base-Backbone interact. energy: -1.465 local terms energy: -332.152973 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -65.404 flat angles C4'-P-C4' energy: -69.992 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -88.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1074.814570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.814570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.814570 (E_RNA) where: Base-Base interactions energy: -739.641 where: short stacking energy: -329.872 Base-Backbone interact. energy: 0.989 local terms energy: -336.162801 where: bonds (distance) C4'-P energy: -59.086 bonds (distance) P-C4' energy: -60.593 flat angles C4'-P-C4' energy: -76.993 flat angles P-C4'-P energy: -47.010 tors. eta vs tors. theta energy: -92.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -990.334792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.334792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.334792 (E_RNA) where: Base-Base interactions energy: -680.284 where: short stacking energy: -299.148 Base-Backbone interact. energy: -0.958 local terms energy: -309.093053 where: bonds (distance) C4'-P energy: -59.109 bonds (distance) P-C4' energy: -65.582 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -34.687 tors. eta vs tors. theta energy: -79.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1009.856939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.856939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.856939 (E_RNA) where: Base-Base interactions energy: -690.301 where: short stacking energy: -321.986 Base-Backbone interact. energy: -0.951 local terms energy: -318.604276 where: bonds (distance) C4'-P energy: -52.592 bonds (distance) P-C4' energy: -53.823 flat angles C4'-P-C4' energy: -79.280 flat angles P-C4'-P energy: -41.654 tors. eta vs tors. theta energy: -91.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -953.058037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.058037 (E_RNA) where: Base-Base interactions energy: -671.021 where: short stacking energy: -292.760 Base-Backbone interact. energy: 2.265 local terms energy: -284.301956 where: bonds (distance) C4'-P energy: -53.986 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -52.850 flat angles P-C4'-P energy: -43.785 tors. eta vs tors. theta energy: -74.117 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: 7, replica: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -938.859994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.859994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.859994 (E_RNA) where: Base-Base interactions energy: -644.191 where: short stacking energy: -263.633 Base-Backbone interact. energy: -1.228 local terms energy: -293.441495 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -59.303 flat angles C4'-P-C4' energy: -66.340 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -67.219 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: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -851.318077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.318077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.318077 (E_RNA) where: Base-Base interactions energy: -581.204 where: short stacking energy: -229.065 Base-Backbone interact. energy: -0.839 local terms energy: -269.274417 where: bonds (distance) C4'-P energy: -58.583 bonds (distance) P-C4' energy: -56.238 flat angles C4'-P-C4' energy: -54.782 flat angles P-C4'-P energy: -45.377 tors. eta vs tors. theta energy: -54.294 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: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -650.773846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.773846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.773846 (E_RNA) where: Base-Base interactions energy: -440.306 where: short stacking energy: -191.064 Base-Backbone interact. energy: 4.790 local terms energy: -215.258673 where: bonds (distance) C4'-P energy: -61.516 bonds (distance) P-C4' energy: -55.773 flat angles C4'-P-C4' energy: -45.874 flat angles P-C4'-P energy: -25.021 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: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -553.486428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.486428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.486428 (E_RNA) where: Base-Base interactions energy: -352.697 where: short stacking energy: -140.453 Base-Backbone interact. energy: 0.159 local terms energy: -200.948799 where: bonds (distance) C4'-P energy: -52.359 bonds (distance) P-C4' energy: -53.864 flat angles C4'-P-C4' energy: -57.568 flat angles P-C4'-P energy: -18.578 tors. eta vs tors. theta energy: -18.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1159.070576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.070576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.070576 (E_RNA) where: Base-Base interactions energy: -800.092 where: short stacking energy: -361.115 Base-Backbone interact. energy: -1.410 local terms energy: -357.568032 where: bonds (distance) C4'-P energy: -71.625 bonds (distance) P-C4' energy: -57.820 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -53.050 tors. eta vs tors. theta energy: -100.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1153.003412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.003412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.003412 (E_RNA) where: Base-Base interactions energy: -809.237 where: short stacking energy: -343.702 Base-Backbone interact. energy: -1.248 local terms energy: -342.518519 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -70.485 flat angles C4'-P-C4' energy: -70.836 flat angles P-C4'-P energy: -44.338 tors. eta vs tors. theta energy: -97.965 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: 439 Temperature: 1.000000 Total energy: -1074.810107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.810107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.810107 (E_RNA) where: Base-Base interactions energy: -756.564 where: short stacking energy: -325.623 Base-Backbone interact. energy: -2.689 local terms energy: -315.557679 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -62.222 flat angles C4'-P-C4' energy: -65.150 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: -85.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1045.672162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.672162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.672162 (E_RNA) where: Base-Base interactions energy: -728.068 where: short stacking energy: -320.105 Base-Backbone interact. energy: 1.668 local terms energy: -319.272063 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -55.350 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -43.588 tors. eta vs tors. theta energy: -92.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -991.781360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.781360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.781360 (E_RNA) where: Base-Base interactions energy: -695.900 where: short stacking energy: -304.146 Base-Backbone interact. energy: 2.233 local terms energy: -298.114300 where: bonds (distance) C4'-P energy: -48.382 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -60.959 flat angles P-C4'-P energy: -43.982 tors. eta vs tors. theta energy: -83.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -942.059871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.059871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.059871 (E_RNA) where: Base-Base interactions energy: -650.765 where: short stacking energy: -258.808 Base-Backbone interact. energy: 0.546 local terms energy: -291.840917 where: bonds (distance) C4'-P energy: -59.077 bonds (distance) P-C4' energy: -62.901 flat angles C4'-P-C4' energy: -74.857 flat angles P-C4'-P energy: -28.481 tors. eta vs tors. theta energy: -66.525 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: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -917.126038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.126038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.126038 (E_RNA) where: Base-Base interactions energy: -630.406 where: short stacking energy: -284.827 Base-Backbone interact. energy: -0.511 local terms energy: -286.208735 where: bonds (distance) C4'-P energy: -47.325 bonds (distance) P-C4' energy: -59.123 flat angles C4'-P-C4' energy: -72.236 flat angles P-C4'-P energy: -38.371 tors. eta vs tors. theta energy: -69.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -897.838393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.838393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.838393 (E_RNA) where: Base-Base interactions energy: -621.790 where: short stacking energy: -256.790 Base-Backbone interact. energy: 1.255 local terms energy: -277.303990 where: bonds (distance) C4'-P energy: -45.171 bonds (distance) P-C4' energy: -64.417 flat angles C4'-P-C4' energy: -61.072 flat angles P-C4'-P energy: -31.097 tors. eta vs tors. theta energy: -75.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -679.942914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.942914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.942914 (E_RNA) where: Base-Base interactions energy: -458.946 where: short stacking energy: -214.645 Base-Backbone interact. energy: -0.626 local terms energy: -220.370862 where: bonds (distance) C4'-P energy: -48.821 bonds (distance) P-C4' energy: -45.985 flat angles C4'-P-C4' energy: -54.905 flat angles P-C4'-P energy: -24.935 tors. eta vs tors. theta energy: -45.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -520.743771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.743771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.743771 (E_RNA) where: Base-Base interactions energy: -340.253 where: short stacking energy: -169.513 Base-Backbone interact. energy: 0.069 local terms energy: -180.559048 where: bonds (distance) C4'-P energy: -39.110 bonds (distance) P-C4' energy: -51.946 flat angles C4'-P-C4' energy: -49.035 flat angles P-C4'-P energy: -17.623 tors. eta vs tors. theta energy: -22.846 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: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1177.121718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.121718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.121718 (E_RNA) where: Base-Base interactions energy: -820.740 where: short stacking energy: -356.415 Base-Backbone interact. energy: -1.921 local terms energy: -354.461286 where: bonds (distance) C4'-P energy: -68.237 bonds (distance) P-C4' energy: -66.179 flat angles C4'-P-C4' energy: -73.581 flat angles P-C4'-P energy: -48.348 tors. eta vs tors. theta energy: -98.116 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: 440 Temperature: 0.950000 Total energy: -1125.009577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.009577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.009577 (E_RNA) where: Base-Base interactions energy: -775.264 where: short stacking energy: -336.892 Base-Backbone interact. energy: -0.902 local terms energy: -348.844098 where: bonds (distance) C4'-P energy: -62.938 bonds (distance) P-C4' energy: -61.915 flat angles C4'-P-C4' energy: -72.325 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: -103.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1062.067372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.067372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.067372 (E_RNA) where: Base-Base interactions energy: -746.247 where: short stacking energy: -330.077 Base-Backbone interact. energy: -0.631 local terms energy: -315.189702 where: bonds (distance) C4'-P energy: -63.634 bonds (distance) P-C4' energy: -56.365 flat angles C4'-P-C4' energy: -63.539 flat angles P-C4'-P energy: -38.277 tors. eta vs tors. theta energy: -93.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1020.828682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.828682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.828682 (E_RNA) where: Base-Base interactions energy: -705.256 where: short stacking energy: -313.617 Base-Backbone interact. energy: 0.113 local terms energy: -315.685298 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -61.038 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -50.458 tors. eta vs tors. theta energy: -79.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -955.639739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.639739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.639739 (E_RNA) where: Base-Base interactions energy: -654.313 where: short stacking energy: -286.899 Base-Backbone interact. energy: -0.685 local terms energy: -300.641875 where: bonds (distance) C4'-P energy: -59.851 bonds (distance) P-C4' energy: -48.624 flat angles C4'-P-C4' energy: -74.920 flat angles P-C4'-P energy: -41.935 tors. eta vs tors. theta energy: -75.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -941.104181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.104181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.104181 (E_RNA) where: Base-Base interactions energy: -638.908 where: short stacking energy: -288.573 Base-Backbone interact. energy: 1.030 local terms energy: -303.225867 where: bonds (distance) C4'-P energy: -47.997 bonds (distance) P-C4' energy: -59.807 flat angles C4'-P-C4' energy: -73.937 flat angles P-C4'-P energy: -46.658 tors. eta vs tors. theta energy: -74.827 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: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -896.000611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.000611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.000611 (E_RNA) where: Base-Base interactions energy: -622.414 where: short stacking energy: -266.349 Base-Backbone interact. energy: -0.440 local terms energy: -273.147361 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -45.908 flat angles C4'-P-C4' energy: -65.769 flat angles P-C4'-P energy: -40.432 tors. eta vs tors. theta energy: -65.211 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: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -889.991075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.991075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.991075 (E_RNA) where: Base-Base interactions energy: -595.734 where: short stacking energy: -269.490 Base-Backbone interact. energy: -0.664 local terms energy: -293.593458 where: bonds (distance) C4'-P energy: -48.598 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -70.432 flat angles P-C4'-P energy: -45.656 tors. eta vs tors. theta energy: -71.406 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: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -705.576030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.576030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.576030 (E_RNA) where: Base-Base interactions energy: -456.138 where: short stacking energy: -207.298 Base-Backbone interact. energy: -1.334 local terms energy: -248.103570 where: bonds (distance) C4'-P energy: -48.306 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -55.479 flat angles P-C4'-P energy: -34.246 tors. eta vs tors. theta energy: -45.741 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: 440 Temperature: 1.350000 Total energy: -514.154613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.154613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.154613 (E_RNA) where: Base-Base interactions energy: -319.553 where: short stacking energy: -157.080 Base-Backbone interact. energy: -0.720 local terms energy: -193.881579 where: bonds (distance) C4'-P energy: -55.510 bonds (distance) P-C4' energy: -54.434 flat angles C4'-P-C4' energy: -47.335 flat angles P-C4'-P energy: -18.011 tors. eta vs tors. theta energy: -18.592 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)